Datasets:

roman-bushuiev

/

MassSpecGym

like 7

MassSpecGymID0413838

98.984238,103.476013,104.106911,105.960716,124.999725,125.680626,167.634506,174.65625,175.933701,183.911118,183.918655,183.925873,184.009094,184.016541,184.024216,184.031693,184.039444,184.0466,184.073166,184.09964,184.107254,184.11467,184.122253,184.137482,184.144928,184.152481,184.22821,184.235474,184.243347,184.250641,185.077011,274.969696,308.540253,338.941772,391.236786,504.342072,528.959351,590.453491,608.464722,689.641663,762.083191,871.686218,872.707153

0.007250435139452539,0.00038048114511084674,0.007153297678061994,0.00040817973122287326,0.03358266801132006,0.00044706754644597126,0.0004912666070972299,0.00041615912143188797,0.00035978017026583884,0.0019573856218379746,0.0026775527974136158,0.0017782578914615013,0.005504640629039477,0.0054261811179235914,0.006545742884333188,0.006431462032448624,0.008064098657664234,0.005335742763357435,1.0,0.007725917813550532,0.006532273197692678,0.007734727471118114,0.005848783146226321,0.004713941751251034,0.005016698979821373,0.0038905760086138177,0.0017986862980321635,0.0023848137474951885,0.0015009988059563983,0.0023004228339366696,0.0020546214636387138,0.0009039796330215588,0.0004387225149868939,0.00045926932453123505,0.00041933070099852354,0.0009518950188771684,0.000514626503290562,0.001590681968736163,0.002394336030604713,0.0016459343558008844,0.0004027676875915256,0.0005364080576740066,0.002671854309029333

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

FOWWMXZTRWYEGK

C50H98NO8P

C50H99NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413840

98.983871,99.926117,100.903481,104.106903,117.221428,124.999504,144.442749,144.682693,152.854202,160.755508,183.769241,183.775009,183.866241,183.873367,183.881195,183.888229,183.896011,183.903351,183.911087,183.918549,183.934097,183.941055,183.949112,183.956055,183.963699,183.979004,183.986389,183.99408,184.001419,184.009262,184.016602,184.024185,184.031738,184.0392,184.046768,184.0728,184.099731,184.107056,184.114868,184.122192,184.129791,184.137329,184.144989,184.152542,184.159912,184.16774,184.175079,184.182755,184.19043,184.197769,184.205307,184.212784,184.220688,184.227921,184.235626,184.243256,184.250549,184.258865,184.265656,184.273178,184.334122,184.341293,184.782578,184.787521,274.965851,295.444397,386.111877,423.383789,431.634033,504.346069,579.080017,590.453796,608.462219,689.643555,778.296448,840.388428,867.870667,872.706116,872.918457,1184.338989,1294.369141,1298.384766,1301.098267,1586.082642,1586.433105,1593.26355,1618.125854,1618.783447,1632.384399,1655.34314,1688.327637,1738.863281

0.0033987711510147897,0.0004673545070928878,0.00052221041208834,0.006175857255520359,0.0004457425937084811,0.018785320059872553,0.00043504917800841813,0.00041449774394306356,0.0004243638500654452,0.0004345936905027899,0.0006552120524820074,0.0014173269906173768,0.0012710950819405666,0.001815678878116774,0.001523033000524017,0.0021936628379321476,0.001938412197687293,0.001782030476978799,0.001932141136040495,0.0021973420916222945,0.0020119822249126686,0.003065430302109374,0.0024695445209909498,0.002911987077320645,0.0032777312324292463,0.0033197143499751535,0.003923601509755703,0.004019922513918226,0.0048722063880351435,0.004623046067275781,0.005554477652368424,0.006147745051189727,0.006954961803141308,0.007363071720291669,0.006195724453514575,1.0,0.0066106060418180635,0.00739913118919521,0.0062696770050523236,0.006293629909382765,0.005682878241636889,0.0052096158693418415,0.004337182685230171,0.004017341890906033,0.004019197389851257,0.0033625979235225485,0.0032983776666094277,0.003019531512237566,0.002817183421107704,0.003207116414508141,0.002033629042731815,0.0024870424967428245,0.002230894290810649,0.0022342079739398873,0.0020309223925649277,0.0021026442559777584,0.001997691869384447,0.0013556462303238805,0.0022043023188331023,0.0015687004234066439,0.0011607701647960546,0.0016199801625838659,0.0004192172723361951,0.0005206111699338369,0.0008558820157798692,0.0005039250493463392,0.00048727710967105744,0.0010252439975217081,0.0004753076330731882,0.002306931302642996,0.0004496294022971422,0.0019033533508194549,0.0054819892981290965,0.002136515366953964,0.0004657360848372225,0.0005745338245997235,0.0004353697112881286,0.024473197930307496,0.0005475009467219617,0.0006751733462596248,0.0004690923996078521,0.0015017308295190573,0.0004546007702455751,0.0008761661893703746,0.0017666935617426925,0.0007876801905302191,0.0006577350741138639,0.0005906746274265965,0.0008205614999243004,0.0007177741438420158,0.0007422793089917868,0.0005735387329742893

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

FOWWMXZTRWYEGK

C50H98NO8P

C50H99NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413842

91.552338,93.681862,94.777679,98.112267,98.320053,98.98381,104.106819,104.179718,119.368423,124.999504,136.290878,155.057083,156.310486,169.046417,179.834106,183.475037,183.521912,183.52771,183.557632,183.567017,183.572983,183.587601,183.601837,183.610855,183.62001,183.62764,183.633484,183.642059,183.648193,183.65802,183.663803,183.672745,183.678406,183.687012,183.693893,183.70816,183.718323,183.724426,183.731613,183.738983,183.746445,183.75412,183.768738,183.77626,183.785812,183.798569,183.80722,183.821045,183.830521,183.83815,183.84407,183.858978,183.868423,183.881363,183.89444,183.904892,183.918762,183.934387,183.942062,183.957489,183.96492,183.972656,183.987183,184.002304,184.017731,184.02533,184.039703,184.046936,184.072876,184.101547,184.11438,184.123688,184.131989,184.137665,184.152802,184.161392,184.16832,184.175949,184.184082,184.197876,184.208221,184.220779,184.236191,184.243637,184.258102,184.272461,184.281464,184.296356,184.311508,184.32077,184.327805,184.335098,184.341873,184.356644,184.366302,184.380035,184.394958,184.402832,184.417389,184.432877,184.441193,184.455307,184.463623,184.470917,184.482391,184.492966,184.507828,184.51651,184.529022,184.538544,184.547958,184.561417,184.576569,184.585266,184.599167,184.607056,184.63121,184.637482,185.076416,185.960892,186.077164,240.581421,329.554047,351.179413,375.264923,404.242859,414.976715,450.292999,451.298767,454.327026,463.297913,472.236572,482.359589,509.489838,545.458923,551.499329,691.515564,692.444946,692.569031,693.489685

0.00037123078639118856,0.00035583111682715594,0.00035953454493188033,0.0003545031145873181,0.0003863146747556354,0.003172507278350006,0.011437188248936414,0.0003294925464755119,0.0003497650730529993,0.02293412777705828,0.000361042410939871,0.00035970447316274534,0.00031198141054385685,0.0009871376055444968,0.0003583133062985707,0.00047557404453174893,0.0003768027003820151,0.0005612390435473282,0.0005422432784278614,0.0003976929909994752,0.000499643437582113,0.0006028339458201797,0.0005998239271873042,0.0005501608296383246,0.00043538780860466036,0.0004337084632481691,0.0005036240785560233,0.0004981260672355596,0.0006241449007382033,0.0004848385827036908,0.0005218095973157879,0.0005531345197786215,0.0007608490003451087,0.0005517066650895972,0.0005517799509062285,0.0007688887784274871,0.0005621929928709974,0.0006278918739252784,0.0006887830089735749,0.0007341960741452197,0.000762999927384937,0.0007205600971993793,0.0008104275230552825,0.0009113096089192258,0.0007112872883963375,0.0009931459405559619,0.0009267179563575984,0.0011707634568063894,0.0009254797213078797,0.0010013153896771324,0.0011817693371292796,0.0013557462485336623,0.0010852455804002212,0.001864695206133203,0.0018395936011905876,0.0016721265328702938,0.0022946290096428315,0.0021855538066388137,0.002285901026417659,0.00230486773353416,0.002633940927271897,0.002696376664064003,0.0034638148300919812,0.00422096620554854,0.004894653899391456,0.0053097878726855825,0.006500458367239078,0.004932892901765295,1.0,0.005171757986721176,0.0065951668971134395,0.0045139749440602,0.003975846870552795,0.00449754282903794,0.0033107583033827387,0.002825959840127084,0.002852526316971488,0.0027330957867542642,0.0021418404190413167,0.0030808063416156925,0.0016953030750607684,0.0021399908280437877,0.0017627411123280164,0.0015383192742087018,0.0026291807927917945,0.0014938608410920407,0.0014253542634399625,0.0013079994939403853,0.0012448230056497514,0.0009819170825812933,0.0009823930960293037,0.0009930109693661753,0.000985380770183806,0.0012669022189516332,0.0008024877171995139,0.0007717242993207871,0.0008750865144844592,0.0008724107347521469,0.000842905105587542,0.0008075027260593003,0.0006936181301097236,0.0006545913156876234,0.0006537702414488278,0.0007007274891432995,0.00047671724218471026,0.0009536076585684651,0.000621060679991406,0.0006257236330588684,0.00039816457268281215,0.0006498015243174371,0.0004234365669993734,0.0005637996872312026,0.00048821403626710667,0.0003813457083374819,0.0004372504194081349,0.0005485527638266193,0.0003593723902558071,0.00041498958759884447,0.009146379228798086,0.00034040654553675636,0.003990275133233669,0.00038987134557209066,0.0003376330513822689,0.00040919695974954537,0.000354420324432124,0.00038869305313401375,0.00040460885559409225,0.0005831755180935028,0.0005169348657856538,0.0016500972188430846,0.0007069239405874035,0.00040200311571023144,0.0036445073801608164,0.001216198950300604,0.0005403993049914996,0.0014162074724642932,0.004336875572966535,0.0010199288132827172,0.0026514082246665133,0.0006767377361018886

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413844

92.112183,98.984116,99.485451,102.165291,104.106911,106.853912,124.999603,147.926193,155.322037,166.061417,183.655563,183.662399,183.685837,183.692337,183.760727,183.768051,183.775238,183.782898,183.798126,183.805511,183.813126,183.82045,183.835754,183.843063,183.850937,183.858276,183.865738,183.880936,183.888702,183.895859,183.903381,183.911057,183.918945,183.925888,183.933746,183.941238,183.948792,183.956192,183.963745,183.971405,183.978928,183.986389,183.994049,184.001465,184.009262,184.016525,184.024139,184.03183,184.03923,184.047012,184.072983,184.099319,184.107422,184.114548,184.122391,184.129822,184.137421,184.144821,184.152588,184.160065,184.167511,184.182907,184.190262,184.197861,184.2052,184.212921,184.220795,184.227936,184.235474,184.243286,184.250854,184.258224,184.265778,184.273407,184.280945,184.288666,184.295914,184.303818,184.31102,184.326523,184.333878,184.341476,184.349014,184.36438,184.371964,184.379242,184.386475,185.07692,211.91861,249.248886,284.792084,454.328796,482.36087,509.492859,551.49353,602.028992,691.449402,692.557861,693.569397

0.00028622544970196445,0.0023995042475307175,0.00032565853163842923,0.0002548664301694377,0.011460401719020318,0.00026806961911784625,0.02183296557538986,0.0003103140820564295,0.0003039327377016977,0.00038765410923132,0.00045556856290977614,0.0008895372815409691,0.0005347476757665823,0.0011045715763434924,0.000942249022192509,0.0011890123798645718,0.0012383274407873548,0.0011260926579415983,0.001209938549336648,0.001156147674060471,0.0011655003395817365,0.001483966572868335,0.00120051667726623,0.0016441052226746466,0.0012575405334126655,0.0017419878034528947,0.0016725255733830912,0.0013747168307088552,0.0016609482248360985,0.002699168445009145,0.0016642230323930256,0.002329980265305055,0.0014984584746567033,0.0025490776893218143,0.002556702012238782,0.003094399426746657,0.0020335537064996097,0.0029010964007080003,0.0033024379824722733,0.0034274583459825165,0.003546784528483078,0.004149307687420634,0.0040575263834279575,0.0048325127362688035,0.004863318555825836,0.005719745989878227,0.006684438869292141,0.0063669487740129925,0.008316288874681901,0.005373366932666893,1.0,0.007572145626727102,0.006651500875634699,0.007551120771014293,0.005933601763236037,0.005630721362521833,0.00531498267933301,0.0048938261042043765,0.003987035584527099,0.003865247965179107,0.0037576100537430974,0.002769837975635898,0.003032635855452776,0.003444571189545428,0.002206315402562591,0.0023553493925319697,0.002082391649981874,0.0030538781236523734,0.0018477871541642623,0.002352565450569337,0.0011755985666041628,0.0018365036480653028,0.002269784945645148,0.0015317123322425954,0.0016182607246832345,0.001461074144428512,0.0016265266809236314,0.001448113329208044,0.001507216812186215,0.0010659439449429583,0.0012330158849088446,0.0015488045516659072,0.0011093061659990066,0.001366342985249476,0.0009552172364471393,0.0012695387239803884,0.0010987754448132997,0.001230515416056379,0.00031720863036917204,0.00030266601770812126,0.0003201398734339943,0.0020918370592275287,0.0025066134277270144,0.0013719609691880503,0.0020181344858213515,0.0003410677914910272,0.0008204694451899567,0.008274041559793619,0.000403000509745444

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413846

97.847214,98.98423,104.107201,109.096794,109.447357,124.999985,128.864731,130.579544,152.017593,183.888748,183.896164,183.903259,183.911575,183.918625,183.926041,183.948898,183.95636,183.971588,183.978912,183.986603,183.994049,184.001724,184.009186,184.0168,184.024292,184.031754,184.039612,184.046555,184.073334,184.091644,184.099747,184.107193,184.114929,184.12236,184.13002,184.137375,184.182892,184.190323,184.220795,184.22818,184.235565,184.243637,184.250366,185.077179,186.077881,282.078674,351.174194,363.102631,406.255096,420.806335,425.024078,443.003387,450.300323,454.327606,482.36145,509.493134,676.904358,691.454651,691.534851,692.562073,693.482361,701.66687

0.0004094127051559594,0.002800219366289665,0.009761103194461182,0.00042272572698724887,0.0004213576085805909,0.018363697245591212,0.00046113122884824275,0.0004131387393743834,0.0004714166040735645,0.0015235890890181061,0.002462478262990532,0.0016125400734231896,0.001736857313894958,0.0028801008708975403,0.002038379496728844,0.0024377584043017964,0.0025805798375153066,0.003275160304138403,0.0033961561794010383,0.0041965099477534705,0.0039804712019501694,0.00464538157196613,0.005094618746356812,0.005281505006748209,0.006845123184194297,0.006540259022263976,0.008415793182267775,0.005133909377248977,1.0,0.0033847867831797557,0.00799921168938702,0.006394719964006678,0.007284049321103099,0.005706232434544845,0.006113467028538254,0.00493679410762266,0.002844397773160875,0.00302982205682926,0.0025725073020978406,0.0014784443415674089,0.0023734067621226282,0.0024295016258053513,0.001435623170679571,0.006669674047429903,0.002772392989271031,0.000459356074040021,0.0008250230434150064,0.0004844541537967172,0.0005004381075636482,0.0004456518983559094,0.0004265041332984858,0.0005798420640076794,0.0007338436019942351,0.0013638690994895956,0.003580983766499138,0.0013810377177149624,0.00046194172127208134,0.0013564668737919533,0.0007379591601141784,0.005516735605551785,0.0015834177679552822,0.0004506296386873077

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413848

98.983971,104.021629,104.106911,112.437378,113.19532,124.999596,136.802185,155.598312,162.494278,179.798096,183.678482,183.684952,183.896072,183.903305,183.918884,183.925903,183.949188,183.956177,183.963669,183.986618,183.993942,184.001633,184.009079,184.016541,184.031876,184.0392,184.046921,184.072983,184.099609,184.107132,184.114594,184.122314,184.129959,184.137375,184.144791,184.152649,184.159988,184.167679,184.175018,184.182892,184.190491,184.197647,184.250992,184.258026,184.326599,184.333618,184.371918,184.379166,248.547684,322.009155,366.629425,454.327484,480.827087,482.360168,495.274872,509.492584,551.499512,553.984619,692.556885

0.003366273234547153,0.00044004791834484526,0.009872469852409485,0.00045342336153119474,0.0004169762376862946,0.018359398624986284,0.0004683551082910276,0.000498694930111944,0.0004110268919284179,0.0004785067134817178,0.0004884429700082159,0.001150463168633202,0.001715895179530547,0.0020526225244266987,0.0019369561523166225,0.0026743858291696666,0.0020366230296867014,0.003198616079150264,0.0031689980392272305,0.0035680851577198,0.00470668266856496,0.003925134945419609,0.005044308096845069,0.006016387498454514,0.006294559406961776,0.007817740265315025,0.005793135937527598,1.0,0.007110132061476869,0.007110956656077972,0.007562354651202,0.006161230761984536,0.005023279711616431,0.005196616607746428,0.004933946805755897,0.003858822915039781,0.0040656796195563455,0.0032175269505364374,0.0035541695162296045,0.002721427378348217,0.0027507629573767156,0.003687427073693563,0.0018129953412244527,0.0021322712659599804,0.0012049083919725746,0.001362038914226227,0.0008632426854783245,0.0014659341310089946,0.0004887257974303461,0.00043363881681381117,0.0005846784485734701,0.0019728518919150373,0.0004946906127080384,0.0025133868890381598,0.0005649542730063237,0.0009676069633820306,0.0010092160015414712,0.0004649631214791701,0.006136518884039083

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413849

151.097672,155.934021,165.995819,169.027679,180.01062,184.019669,185.289825,186.075226,189.067505,200.253174,218.322464,220.203918,251.239624,269.368683,281.565308,283.293579,292.362671,297.27951,304.947845,308.132355,309.46933,334.372345,348.382416,351.360168,352.423096,354.141296,368.342468,382.379059,385.565582,398.423096,404.276794,410.347839,411.672821,414.40979,417.319458,431.40329,435.46405,447.726074,449.607086,450.434113,454.433228,463.367157,464.439026,472.49704,474.393433,477.471832,478.265167,481.405029,482.529785,493.720734,495.443085,505.542236,509.558929,510.591949,513.618103,514.294128,518.517578,519.764954,520.709717,524.601501,534.087708,537.686768,538.464844,545.625732,546.668091,548.553955,549.712524,551.041199,551.679626,552.786072,556.214722,559.781677,564.485657,565.405457,568.584473,569.654663,574.666931,576.496033,577.671204,587.592529,591.773743,593.63385,597.752869,599.284607,601.519287,604.0625,606.47937,609.728027,610.682434,615.740479,617.036133,617.677734,618.513489,619.552002,626.62561,631.905029,632.76709,633.658936,634.725281,639.757935,643.555908,646.743408,648.553894,654.869629,657.681335,674.092651,674.735291,675.707886,691.614502,692.682922,693.761169

9.887320945592214e-05,8.877841060169764e-05,0.005281763984782961,0.00025959373687821873,0.00016967846827906636,1.0,0.0018313078974818054,0.00044029868457459617,6.361419273452255e-05,0.0001514167324817136,0.00017119733395988058,0.00040035980315574003,0.00019589770344765304,0.000518166422416383,0.0004074086267065287,0.0005099155031945634,0.000456213683317064,0.00043521786033873125,0.00022032466421732747,0.00022355619729474074,0.00046709911764060343,0.00014019401040495414,0.0005771823378440178,0.0004155761393439173,0.0005567429809376837,9.388670696766361e-05,0.00018698432132662987,0.0002472390847468726,0.0004546534367328199,0.00020383995843487442,0.0004263748741118567,8.173073843942959e-05,0.00022406430504887464,0.0007180298763732558,0.00020965209860347367,0.00011522601216945704,0.0010070654467225545,0.00047430651041844695,0.0005498019964357329,0.0018660823408304316,0.0027706795516637024,0.0012193641960627551,0.0005255298513665362,0.00027852067587945395,0.0003094304606309681,0.00043399179275870173,0.0002523865743780793,6.696475635719381e-05,0.007786952157288308,0.00012740164641362266,0.00010069168945756289,0.000194861845251224,0.004182571290918819,8.98572155899445e-05,0.00016973592256624352,0.00015832669857691976,7.766573823973564e-05,0.00020951489914736081,0.00031596553462387195,0.00015252452943290877,0.00014549385176520452,0.00014460449624413465,0.0002955415602681728,0.0008999253137443766,0.0017310867114292941,0.00014271177471068664,0.0019401669614101341,0.0013961933397211408,0.013886251547448181,0.00014901898891536683,0.0002193679985233442,0.00038313772513693425,0.0002572653069008111,0.00019790791266574147,0.00040483276333604746,0.0003771141670081853,0.000838724316210147,0.0002778059169136455,0.0009625006086167758,0.00017341223702915855,0.00025097034346998996,9.741014006281544e-05,0.0006057987869402318,0.00010343132633121202,0.0001804626034405648,0.00014371449594549328,0.00017294120398538744,0.0008144433745326531,0.0001991517346567585,0.00017861457880948586,0.00010838027052592908,0.00043901140918081223,0.0002337358765107027,0.00016192036637182727,0.0002073700005001344,0.001745993485299827,0.004318859123656609,0.0009464052333486732,0.002574167651523629,0.00016267210793691685,0.0007640548363175284,8.523747640103295e-05,7.833787280251203e-05,0.0018137361197415275,0.0011558206985833963,0.0016795525186084174,0.0037761962887149893,0.0031556777133999675,0.011533926988295057,0.011968096163969238,0.002868922836460013

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413850

97.291443,98.983688,104.106812,112.515434,117.914101,120.201416,120.776886,124.999748,132.539825,166.062012,167.909683,172.623779,182.991928,183.264069,183.528809,183.535126,183.604004,183.610657,183.619293,183.625504,183.649902,183.655396,183.664032,183.670807,183.701248,183.708389,183.717087,183.723236,183.731354,183.738998,183.746155,183.753586,183.761826,183.76886,183.776031,183.785278,183.791519,183.798828,183.806091,183.814377,183.821945,183.828903,183.837036,183.844025,183.851562,183.85939,183.86673,183.874435,183.881729,183.889633,183.896835,183.904465,183.912262,183.919388,183.927399,183.934448,183.942184,183.95018,183.957199,183.964615,183.972916,183.979736,183.98735,183.995422,184.002579,184.009888,184.018082,184.025055,184.032883,184.040009,184.047684,184.073166,184.10051,184.108337,184.115509,184.123703,184.130356,184.138611,184.14592,184.153091,184.16156,184.168335,184.176056,184.18364,184.191269,184.198746,184.206238,184.214096,184.221191,184.229324,184.236679,184.243729,184.253464,184.258728,184.267456,184.273987,184.281937,184.28981,184.297424,184.304306,184.312561,184.320221,184.326904,184.33461,184.342667,184.351791,184.356812,184.365387,184.373947,184.379547,184.394699,184.409805,184.418396,184.426453,184.432877,184.440903,184.448853,184.455521,184.478256,184.501831,184.508881,184.516266,184.531891,184.539093,184.624466,184.629684,184.659515,185.163452,232.723923,256.817719,329.473846,362.172302,396.704681,398.032257,450.301941,451.732361,454.33078,479.886658,482.360657,496.470581,509.493652,551.492981,661.275208,691.523621,692.561584,693.481873

0.00038779547515326577,0.0027867543855300235,0.008971864975064187,0.0003524709326674312,0.00039693724217420754,0.00035230328119448365,0.000350137719218516,0.02064290401983906,0.00037625268910027396,0.000791751423210696,0.00037899873867675726,0.00034194345369467974,0.0015409703575266468,0.0003973650524019575,0.00043899053203023177,0.0005739453011034151,0.0004617288098492515,0.00070220610929255,0.0004253303859451973,0.0006195839138015088,0.000477845965483435,0.0008007450078722168,0.0005451777491620775,0.0006776360091622428,0.0006889669079866071,0.0008040814906721369,0.0006672613884761067,0.0010054838246637474,0.0007188876883051518,0.0007392659635090387,0.0008645438131159931,0.0009291959750727389,0.0007424179884032482,0.000898014981348333,0.0010642806310124319,0.0007579769505897893,0.0011221852166421607,0.0012081175650097537,0.0012071266070781675,0.0009452579890932723,0.0010192453335316428,0.0013193904189010904,0.0011374677007168856,0.00126849169427125,0.001374428939489681,0.001304672423148217,0.0014248462013382696,0.0014234323874351272,0.0015932902578616706,0.0014900142971228756,0.0017245092579908328,0.001757958767588182,0.0017216519000085673,0.0020429184082886376,0.001878238858178473,0.002291545417421743,0.002230847109096705,0.0021075579016370818,0.002607413326537467,0.0029509564344083646,0.0025853378938699633,0.003396732729504367,0.003523247222689728,0.003304158268306546,0.004050722639788203,0.004832288497285785,0.004498726323008633,0.005710890680341898,0.005900232202346342,0.006727701511862832,0.004226944442487443,1.0,0.006837745997824685,0.006049628489060583,0.006033846770897978,0.004649700210964684,0.005440249818832466,0.00394402815413802,0.0038019660963386544,0.004084435884668,0.002861576257724536,0.0031145554139266843,0.0028345324436662832,0.002620590525419918,0.0024248675132217145,0.0023683272638766214,0.0022183809944202283,0.001992476370520262,0.002155196229337877,0.00168143089170668,0.0017572299862966456,0.002189889252601108,0.001240177892820431,0.0017829838567730565,0.0012865053280433428,0.001683383504165005,0.0013727992396979493,0.0011356777483647808,0.0011421459426807518,0.0014245108334489415,0.0011099686842184994,0.001095994476329061,0.0012592626154431135,0.001341339856669263,0.0010082138471286667,0.0009045694622930164,0.0011748924396131168,0.0008924896126022732,0.000833670795068532,0.001316155080859648,0.0012295382611772648,0.0012053176866047355,0.0006770752690042534,0.0006472133831020375,0.0008785745774581633,0.0007802334455492076,0.0006355372078759568,0.0008652415189747171,0.0007777040240719794,0.0006384229461385548,0.0006936590246511066,0.0006084663541553868,0.0005795254913847752,0.0005607332786242893,0.0003802441960068196,0.0007209414501607713,0.0007543429665609452,0.001434849642470454,0.00041017067279222407,0.00042722686872192334,0.0003571346644127816,0.00045992427305756436,0.0004243741449175023,0.0003837396232208145,0.0006248436360726561,0.00037424023126820464,0.0007406853671862577,0.00032249469529570355,0.005108667857972771,0.000434491014394683,0.0018149172016164537,0.0009632436693561656,0.00041096761685577814,0.0008462810192234011,0.00859315814320346,0.0005260188843327012

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413852

98.98362,104.106598,124.999557,166.062347,169.430099,182.991913,183.482391,183.499512,183.505356,183.536713,183.542786,183.564789,183.580139,183.610046,183.625244,183.634262,183.641296,183.647964,183.656891,183.662933,183.672226,183.677994,183.687225,183.693115,183.70163,183.70842,183.716904,183.723175,183.731735,183.738602,183.746185,183.75415,183.7612,183.769012,183.776367,183.783813,183.792725,183.798447,183.806885,183.813873,183.822479,183.828568,183.843628,183.852036,183.85936,183.866547,183.874771,183.88179,183.889511,183.897064,183.90448,183.911819,183.920151,183.926758,183.935257,183.94194,183.950012,183.957474,183.964554,183.972763,183.979874,183.987823,183.994827,184.002594,184.010452,184.017548,184.025253,184.033783,184.039703,184.047455,184.072891,184.100479,184.109039,184.115356,184.123032,184.130814,184.138214,184.145676,184.153824,184.160721,184.168671,184.175766,184.183945,184.19101,184.198792,184.206207,184.213928,184.221344,184.228836,184.237411,184.243912,184.252075,184.258698,184.267181,184.274765,184.281601,184.290009,184.296646,184.30545,184.311768,184.319641,184.328384,184.334412,184.343552,184.349716,184.357361,184.365021,184.37381,184.380005,184.387482,184.397003,184.40242,184.417114,184.432907,184.44043,184.448746,184.455948,184.463806,184.470825,184.479431,184.48616,184.494263,184.501083,184.508759,184.51683,184.525299,184.531082,184.546173,184.576828,184.600784,184.606918,184.616684,184.622467,185.077148,185.163025,239.236938,450.298218,454.327423,482.358185,509.493652,551.501648,615.483948,691.513916,692.558228

0.0029528680849504533,0.008747496481413923,0.02255823658887643,0.0009501571500395805,0.0003370243803338548,0.0016016710996342653,0.0005128388520447892,0.0003145555448379252,0.0004673971343690875,0.0003695954501683177,0.000516310592617301,0.0007512524463590085,0.0006206397893644344,0.0008005705223371883,0.0006745853381738703,0.0004749138279166489,0.0005438818354307256,0.0007593240650379342,0.0005349868756927915,0.0007216957456336284,0.0005468164768658152,0.000736312077757546,0.000573151669139206,0.0008589716556996567,0.0006733935874920584,0.0007213388205205858,0.0006483971941842426,0.0009055971918131913,0.0006861262272210688,0.0007962791869665472,0.0008096708151081227,0.0007464190153994386,0.0008646378041479385,0.0008568762758545619,0.0009451828829503637,0.0008880530253265988,0.0008342846285290268,0.0011986844933791088,0.0009555865554931059,0.001095917978872856,0.0009739758077336146,0.001362442187036062,0.0014381736353118498,0.0012077094686312622,0.0012942606528905001,0.0014625982604028523,0.0012787202315870361,0.0015365171866184339,0.0015110863779337043,0.0015327883421879522,0.0017021426607613122,0.0018971987991703476,0.0016927020790346804,0.0021871638186210505,0.0018595964621760752,0.002346309761671634,0.002164898772819347,0.00237367294258769,0.0028427012437780112,0.0025905891857433,0.003004072810671024,0.0031057444728910715,0.0038306893217015313,0.00392298039410104,0.00407818173137391,0.004952960482659802,0.005202430788746345,0.005256259901698373,0.0073753847984364,0.00420730603642689,1.0,0.00685134070335078,0.0051359575797387215,0.005828222324848024,0.005275152640192442,0.004415367670824808,0.004117764594493665,0.0038227601169790438,0.0030399272259724946,0.0031972390703970486,0.0028276403654220986,0.0029505589181971176,0.002393285320983749,0.0024650628215401376,0.0022246410417105624,0.0021352707594961945,0.0019516838785224254,0.0019008775152676834,0.0018077879978466544,0.0014145278488045321,0.0016028654153623638,0.0015110561190095257,0.001917049563052987,0.0012949088551756545,0.0012405754670566688,0.0014564496116595365,0.0011587229949394221,0.001385484760876793,0.0010392895037335973,0.0012115510587012998,0.0010963333180652008,0.0008718948589682586,0.001080446494804973,0.0008616352428737787,0.0010245456866537302,0.0010232506616041131,0.0009629704356860448,0.0007600510724426192,0.0009540483425004998,0.0010041310479992369,0.0007077676089619269,0.0010841644841320093,0.0013738143520806243,0.0007236004239870627,0.0008452396739373515,0.0006346381824383782,0.0006613016532154418,0.0006310611585710536,0.0007649282514521342,0.0005279430818384485,0.0005898239785484533,0.0005908634473898767,0.000680917316595149,0.0006874108584444719,0.0005653398874936211,0.00047914010595365565,0.0007153957979584172,0.0007367517568681,0.0005148371394991801,0.000399850778971147,0.0006239621106019936,0.0003422976240450457,0.0004919573059900836,0.002389819469240191,0.001673313622712946,0.00039362141533434247,0.0005413732934493783,0.0013423246152295852,0.005312843913161328,0.0015559632681060743,0.0007514787998385529,0.00035607926855226303,0.0012885537827157913,0.00919083664157843

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413854

95.015419,98.921638,98.983582,104.106644,110.140671,124.999634,166.062378,166.534149,169.712479,175.42157,182.991501,183.483932,183.490402,183.596848,183.602707,183.618698,183.625488,183.64238,183.64769,183.655411,183.67778,183.692917,183.701584,183.708191,183.724609,183.731354,183.738556,183.746017,183.754089,183.760941,183.775574,183.784241,183.791412,183.799255,183.80629,183.814072,183.822357,183.828583,183.837799,183.843735,183.852295,183.85907,183.86731,183.873917,183.882858,183.88916,183.896881,183.904907,183.911713,183.920166,183.926773,183.934967,183.942154,183.949722,183.957199,183.965378,183.972,183.980576,183.987305,183.994873,184.00296,184.009995,184.017868,184.025131,184.032852,184.040222,184.047043,184.073044,184.10112,184.108063,184.115601,184.123276,184.130661,184.138412,184.145615,184.153397,184.161285,184.16835,184.176285,184.183289,184.192047,184.198425,184.206497,184.213608,184.222061,184.228638,184.237488,184.243759,184.252808,184.258682,184.266907,184.274353,184.282059,184.289352,184.297806,184.304031,184.313065,184.320145,184.327377,184.334534,184.342514,184.351166,184.357086,184.365387,184.379166,184.388779,184.395294,184.402618,184.417435,184.426697,184.432724,184.442093,184.44783,184.500916,184.555511,184.561844,184.652496,185.165298,200.350372,212.340485,260.705658,323.046082,328.372742,454.327454,481.302582,482.359863,504.563141,509.491913,523.203735,636.63147,691.506836,692.560547

0.00042495317597933646,0.00042374814688937213,0.0032017499616248143,0.008328935541925809,0.0004275569737765484,0.02154117767588685,0.0008242017370409881,0.00042030012437406484,0.00047402253139160134,0.00036456200293644473,0.0021282571987128315,0.00048593594018855765,0.0007848664351218093,0.00044859099814295567,0.0008320714761002139,0.000431413180993461,0.000628724460570764,0.0005332956204035006,0.0005660352324417352,0.0008124861630793298,0.0008747603028195533,0.0008930992709239172,0.0007032661951151798,0.0008721431452127523,0.0005362025146848462,0.0006891782535251847,0.0008493037562925689,0.0009462077253182869,0.0007975057604738033,0.0009911596970685554,0.0012360711781898872,0.0008922590966673555,0.0009137914452881741,0.0008794396544519936,0.0010735643844707599,0.0010120024546132569,0.000954076530085971,0.0014123151849299335,0.0009352054745568148,0.0013786813272114859,0.0010629795718133472,0.0013262868729590782,0.0012181793608984305,0.0016274558017511673,0.001224146032005779,0.0017184059895360747,0.0017566000291616448,0.0015143740823610162,0.00188728955240372,0.0016668321621471362,0.002193396570045117,0.0019114813143439975,0.002197971515996421,0.002362245821475488,0.0025334597088520977,0.00238367632672371,0.003212804885169905,0.0027008046334146994,0.003534318286414205,0.003814748007375029,0.0036092913335718014,0.004463612834060801,0.004604697234643894,0.005458446092741723,0.005758073306220696,0.006220161980698068,0.005329688578111074,1.0,0.005705747916813087,0.006290998180718977,0.005725426194639642,0.0049263584889232956,0.00461895544107687,0.004052431786752152,0.004164907576118361,0.003501934443643723,0.0028799237797127964,0.003039052203190228,0.002620797198244287,0.0029073348697394087,0.0020201332106726025,0.00240228650231947,0.0020680262147101266,0.0022321180032595306,0.0016291994918740762,0.0019861424312070156,0.0014758609402147822,0.0020016763484026305,0.0013585283285797055,0.001747160059316324,0.001375405566797125,0.0013408876566870205,0.0012522212690490402,0.0012647190520297588,0.0010858423515894319,0.001553366124448892,0.0008691270730904804,0.0009341668220905403,0.0010858239119192453,0.0013558003651149805,0.0008784974633914714,0.0007803229082201922,0.0011310549403287715,0.0008955648159512099,0.0016643451004415856,0.0006850201078980853,0.0008577849751793843,0.0009539500986216053,0.0009081417339849597,0.0006376969657553479,0.0010002001481859114,0.0005945800265112219,0.0009140134821905919,0.0006904434688930219,0.0004977038848275879,0.0006742979823568553,0.000581385782334547,0.0018758112101697913,0.0005244303853148391,0.00045172269863398323,0.0004362473005373225,0.0005178758825855679,0.0004055341556637404,0.0010994540786266474,0.00043354149153071014,0.00501056440090478,0.0005121055078094814,0.0013622905863483641,0.0005125905617672656,0.0004977153257030527,0.0012101434074577586,0.007974113947902756

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413856

95.084984,95.840485,98.983765,104.106758,104.170761,109.101448,111.116386,115.119423,124.999672,166.062653,182.989777,183.731995,183.738083,183.754456,183.760971,183.784027,183.79155,183.798508,183.814758,183.821136,183.829498,183.836716,183.844009,183.852432,183.85881,183.867096,183.874466,183.881668,183.889709,183.896835,183.904678,183.911987,183.919632,183.927185,183.934326,183.943024,183.949448,183.957352,183.96553,183.972076,183.979904,183.987595,183.994949,184.002853,184.010193,184.017334,184.025711,184.033005,184.0401,184.047211,184.073135,184.100861,184.108231,184.115692,184.122849,184.131165,184.138382,184.145599,184.153534,184.160889,184.168564,184.176163,184.183609,184.191391,184.198486,184.206421,184.214142,184.221222,184.228897,184.237183,184.243683,184.25235,184.259338,184.266602,184.274384,184.282135,184.28923,184.297638,184.304153,184.318802,184.328186,184.334702,184.342148,184.381363,184.387497,184.394958,184.472794,184.478302,184.495605,184.500809,185.165665,226.933228,239.236603,282.280396,309.27713,311.740204,313.273041,356.338257,364.942352,367.879028,378.912415,440.509155,449.072235,454.327393,482.358978,487.504578,509.491791,551.502319,644.305481,689.791565,691.509216,692.563477

0.0012935519628678338,0.000487282154917274,0.0029050582602119976,0.008669961225048567,0.0006010629799606253,0.0011225938017444816,0.0007433796007770636,0.000545347181840702,0.022600650145373474,0.0010589452209285649,0.002699517105829281,0.0007544144643346067,0.0008312376497737911,0.0006685407762813075,0.0009365898186417033,0.0008521125242832371,0.0009223073508129181,0.0012370493422339274,0.0008418815369170393,0.001244951290108085,0.0009588941055294071,0.0011129862058175467,0.0012889908734142557,0.0010397912097941302,0.001506596676618991,0.0011903142609421243,0.0012931471075242182,0.0015179197642733282,0.001358457567895279,0.0016102162479302207,0.0015792561180719435,0.001758332377214827,0.0017697616983272273,0.0019496237890976416,0.0023672129493213733,0.0018454138515495637,0.002632485984171893,0.002362960925175035,0.002310974725876478,0.003183489230628822,0.00310836189520072,0.003188722049831158,0.003658113391308883,0.0036924487020691277,0.004427541193496656,0.0056548782969791,0.004754569362051656,0.0056057427671807976,0.00641164811144865,0.005375863225074642,1.0,0.0057381203601089975,0.006030204044381283,0.005780992346705954,0.006084615568651482,0.004124650086702565,0.00398482403942685,0.004155966225113756,0.003370227017301399,0.0032457892736541547,0.0028734488780818527,0.0026269012307852772,0.002544808276509472,0.002278420161931707,0.0025035875239572875,0.0020535844469940934,0.0018594260616174917,0.0020478393460149416,0.0018703556304515052,0.0014658315036701914,0.0018947471349039752,0.0012494096207251724,0.0013861339326457973,0.0014999295753530032,0.0014208401739266483,0.0014069836373355583,0.0012207037249507818,0.0011408817064107746,0.0015369035776216118,0.0017077803687140642,0.000983480273536813,0.0010249139949673398,0.0013812723438375988,0.0007396434829658795,0.0009117393577491231,0.0011111706475964486,0.0005690564544518182,0.0007629161266770101,0.0004966711560776542,0.0009117386602172128,0.0022180200393746986,0.0004619169219937678,0.0016785742252180603,0.0008595807702838368,0.0005100520150197526,0.000529037868811849,0.0012218881341347343,0.0005477511180067536,0.00047838463995619236,0.0006111845395637492,0.000646375304762774,0.0006092454334476329,0.0004920063755720413,0.0008521568860089441,0.003918393929516682,0.0005395982998474556,0.0009511992594427567,0.015458772128710935,0.0006170424386237109,0.0005773309234800975,0.0016362479432587126,0.004228271542001851

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413858

91.19812,98.983971,104.106842,110.068901,118.509407,124.999588,131.475159,131.851395,134.023651,151.575378,161.355515,175.818268,183.72139,183.751785,183.757431,183.766968,183.77356,183.789581,183.803925,183.811768,183.81749,183.827072,183.833588,183.84111,183.849213,183.856766,183.86293,183.872437,183.886719,183.893814,183.902267,183.908371,183.917542,183.931549,183.940414,183.953873,183.96257,183.969681,183.97728,183.984512,183.992676,183.999496,184.007751,184.015152,184.022278,184.030228,184.037994,184.072845,184.09903,184.104965,184.112976,184.120697,184.126389,184.135529,184.14299,184.150177,184.158524,184.165054,184.17308,184.180832,184.18782,184.196838,184.211563,184.21843,184.225113,184.234344,184.240921,184.248581,184.255875,184.264969,184.279175,184.287476,184.302414,184.308273,184.317474,184.332825,184.348618,184.362839,184.371277,184.385406,185.077118,186.076889,221.711761,224.152786,234.134445,241.949539,247.468689,248.385269,252.838348,266.644562,283.260529,284.452698,454.326965,482.358856,509.487854,692.561584

0.0004851736567532098,0.003789699732425011,0.011202494885808939,0.0006310206058660263,0.000508448459137612,0.0279749624143675,0.0005302621198148463,0.0006442370456332269,0.0005910351002312332,0.0005140203865331272,0.0006489168237809257,0.0006205147082635552,0.000670642506046983,0.000792043398372366,0.0006835611301970679,0.0010225306267597843,0.0009122351427043383,0.0011157389732266154,0.0008979701946934815,0.0009765056863517247,0.0008124077919754258,0.0011617379883187811,0.0010782310297247637,0.001034816542103974,0.0011238651462186814,0.0012682182281524782,0.0010454790038217435,0.0016205909346675017,0.0012510595752187824,0.0013087215266461602,0.0016761111000562128,0.0014137269129828078,0.0019230669104689795,0.0017116723261243318,0.0026776343461385283,0.001911526925412601,0.0026834923839646747,0.002512892448008767,0.0026587133023591803,0.002764196064103175,0.0033757281007805407,0.0033016412488542156,0.004187572104088092,0.004360545575397705,0.0045130880383305845,0.005497021532805318,0.006163801296098578,1.0,0.005094800534982762,0.005466504439470669,0.006112604170446467,0.005736350792176365,0.004275162054683844,0.00421394116471622,0.0038308657451340566,0.0033274069193816426,0.0035410744725768383,0.0027713629335203932,0.0025976973534852055,0.0026594919625779617,0.002203999140504878,0.002547933437620971,0.002408223457583888,0.001823178460896177,0.001534080113083249,0.001869213880233089,0.0016587089970801134,0.0014914143426994334,0.0013243670891402903,0.001546456316662082,0.0011691488517908796,0.001627557897336039,0.0013252488976919325,0.0009592791968458424,0.0010345668314589707,0.0012455976721171033,0.00118381054542546,0.001056724437335866,0.0009989862840296944,0.001060759458139048,0.0015104053322140946,0.0010731153861053306,0.0007022311746461201,0.0005689709485632302,0.0006325441752344452,0.0006285199053663542,0.0006653975167725568,0.00051707626514254,0.0005864060846903686,0.0005257754482598708,0.0006459390198801445,0.0005240635747695263,0.0014665662696100193,0.0029445288202593367,0.0011936088210285347,0.0009787119735418194

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413860

98.534653,98.984207,104.107071,112.761726,124.999786,143.522232,147.402847,152.729935,183.744431,183.759613,183.765137,183.789673,183.794937,183.804581,183.810074,183.820023,183.835266,183.849533,183.856247,183.864624,183.871872,183.878983,183.887009,183.895645,183.909409,183.917709,183.923782,183.931931,183.940521,183.955231,183.962097,183.970551,183.985352,183.992905,184.000076,184.007584,184.015244,184.023148,184.03038,184.037506,184.045242,184.073135,184.098846,184.10585,184.113098,184.120224,184.128372,184.13562,184.142517,184.151047,184.157806,184.166443,184.172607,184.18074,184.188431,184.197189,184.211594,184.219696,184.23468,184.242691,184.256912,184.264572,184.27153,184.27919,184.288269,184.30307,184.318375,184.332138,184.340302,184.346725,184.355499,184.361404,184.370544,184.376663,184.53009,184.537445,207.880981,212.326965,230.711578,252.498932,270.028503,270.492615,331.416718,334.859589,422.325378,425.504395,451.812042,454.319275,482.361206,499.204407,505.708344,509.494446,549.824707,593.908447,675.132446,692.55719

0.0005648035480554015,0.004900369119833516,0.012619875042077185,0.0006568207546518769,0.02649127969690626,0.0005790895011390552,0.0006250595184146622,0.0005994257566800164,0.0008199339094936092,0.0009974154802626384,0.0006835292017565451,0.0011294637906193378,0.00078162258818189,0.0009601743049692865,0.0008797188791788682,0.0015785036978079993,0.0015234074091113683,0.0011690759827657992,0.0010172049616953866,0.0012409100694628153,0.0011965976853907255,0.0011822110629827374,0.0015557344172568972,0.0020121942014383306,0.0014276785801644134,0.0019054618736634027,0.0015726397602731585,0.0017283214811781766,0.0023932449785339276,0.002381297886517742,0.0022953270932583726,0.0028903182039503096,0.0032098333858579264,0.0036626333545732048,0.0035117082699779394,0.0038051908528997026,0.004276447886786116,0.005129355122221277,0.00522236492553393,0.0054742892533149925,0.005828236448080015,1.0,0.004676473534122966,0.006353707765435138,0.005844020632580123,0.004958037668950911,0.005008172056763366,0.004258400421423593,0.0034695539580922763,0.0036288237941772077,0.002954575168059527,0.003334460981895501,0.002498840048429975,0.0023767836822576527,0.002294450799025573,0.002887170577640166,0.0020742191448689606,0.002184090296292377,0.002202523588142784,0.0017933628207163128,0.0013702966389628195,0.0014750442395090751,0.0012466762851847677,0.0012338282821544439,0.0016496630129486539,0.0016109509865038633,0.0015887092430247726,0.0007185217447979567,0.0011516774545278882,0.0008724412801891806,0.0010328983530281386,0.0007484797511944553,0.0007639121359413135,0.0006898458445379408,0.0007701241313314179,0.0005464962906902651,0.0006491002805656706,0.0006450545956718202,0.0006527854121186887,0.000716814503841963,0.000648589732323941,0.0006839343082204438,0.0006726535194160799,0.0006540005934895576,0.0007959713990174451,0.0006235841739185109,0.0005717329020949261,0.000690332570384871,0.0013922975452995857,0.0007979235471966053,0.0007282324178718569,0.000785401184372055,0.0005874764655319821,0.000606018615942479,0.0006114946689455439,0.0016120026898725683

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413862

90.566162,90.742119,91.616997,94.134071,97.423546,98.984138,104.107002,106.979446,107.808418,109.10025,117.061897,120.514175,124.999779,135.933823,174.826782,183.572968,183.579788,183.586578,183.896088,183.903488,183.910889,183.91864,183.926132,183.933655,183.941162,184.00914,184.016632,184.024155,184.031693,184.039352,184.046799,184.055099,184.073212,184.099792,184.107071,184.114822,184.122192,184.129868,184.137421,184.144852,184.160095,184.167526,184.228195,184.235535,184.243332,184.250458,234.688416,254.528427,292.233368,316.200043,349.742523,416.569672,450.300537,454.326721,472.229614,478.329102,482.359833,509.493835,551.495117,643.090637,649.49176,650.506653,692.559326,696.063782

0.0003518301630279871,0.0003923643887807265,0.00043422746205461693,0.000388117740256151,0.00038902861005039017,0.0035864599872941516,0.01065590786845935,0.0003397636529725347,0.0003551418362186008,0.00044286277455418937,0.000418411256305608,0.00036263404556319154,0.022478798240153308,0.0003757532766814841,0.00043640026433273087,0.0005728806056120082,0.0009444242567694216,0.0005183710062202107,0.0018309420634279978,0.0019015284670753883,0.002079914526944289,0.0024757771414212035,0.0019644601542123355,0.0028451241091426017,0.0023230807897692838,0.0051397554457057555,0.005609632824688932,0.006645469396280643,0.006863385757500715,0.007018761242692199,0.006999636983049595,0.0038617163932355265,1.0,0.005992229821712224,0.007896613788262915,0.007155675627801637,0.006058114546919744,0.005521492429165806,0.005200162988765859,0.00465653250549211,0.004016834901041688,0.0035645991395960486,0.0021300181740153993,0.002095020867053315,0.002346547200677159,0.0017783774038384796,0.000387875626798304,0.0003904512947788813,0.0003810341320322836,0.00039416914467200353,0.000415135768788215,0.0004133673372125849,0.0005089929825953588,0.001785854192861648,0.0005112934380630923,0.0004850715125843085,0.0021474440092106003,0.0012221883284055984,0.0012230285215746315,0.00038641480628141405,0.000836195483996605,0.0004970086418925421,0.004924130522722992,0.0004014398380802402

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413863

138.115128,165.980637,182.670532,184.018555,184.972275,225.212418,230.128906,255.094238,290.197876,291.35968,303.626434,331.266174,336.41214,351.254517,364.424774,369.227509,387.395935,396.621002,410.299774,434.588623,450.409332,451.543976,454.377075,464.296021,475.476685,477.94986,482.365997,487.468414,489.498413,496.630188,505.36203,507.537079,509.519104,510.680359,525.147461,535.286133,538.432617,545.455139,549.553833,550.502502,551.479614,552.109619,577.599487,580.28009,583.866882,605.684937,611.57373,613.392334,616.715881,629.513977,634.567017,636.77948,647.622253,648.385193,650.401917,656.734131,657.59436,660.740906,674.680115,675.642212,683.428162,691.550842,692.645996,693.629883

0.0002268977318588157,0.006659135663901631,0.0008599408360779286,1.0,0.005006403011401868,0.0006320926041325403,0.0003326849485302346,0.0013237996731709615,0.00026164055783501277,0.0006348703684946341,0.0001549141709588542,0.00041634976426491816,0.000393928973106969,0.0005099958025651446,0.00030376945844335854,0.00030311045531656125,0.0003494709384574514,0.0007710919210784944,0.000430975871719054,0.0003836472886751522,0.001267197875177212,0.0001797235322047419,0.0065012109343419895,0.0004527307848219093,0.00020382780080453205,0.0009832949611984876,0.0072582184189835496,0.0006030541719945793,0.0002177367707381947,0.0003231167716567504,0.00016349804143168896,0.0004800995810403333,0.0024111673722556947,0.0003991717200933749,8.473112628005468e-05,0.00014471859729559485,0.00043329521586233147,9.921034859949125e-05,0.0017986687720969701,0.0038866163404371766,0.01489079481519362,0.00041406693974075216,0.0026212510461467017,9.312004211954046e-05,0.000840787212511079,0.0005528993884270915,0.00039223821740770473,0.00026653917341060493,0.001138071908588542,0.00017235899901458919,0.000399115804009896,0.00021712726709513283,0.0015348320871668966,0.0006446776828739865,0.0009831939089190989,0.00024276222473030063,0.00025811711125015854,0.0002345941315877011,0.006741468081866152,0.0018905310140016518,0.0005171967307949809,0.004370210585029229,0.004640703043874933,0.0024305372352338996

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413864

92.480202,95.740448,98.983871,100.336838,102.057396,104.106934,111.239967,114.493416,124.999641,127.852631,128.5681,143.676529,148.03064,160.926636,164.42099,173.805862,175.743256,183.80571,183.812958,183.858322,183.865997,183.880341,183.903671,183.910919,183.926453,183.933533,183.941299,183.94899,183.956055,183.971359,183.978912,183.986359,183.994095,184.001633,184.008926,184.016861,184.024063,184.03183,184.03923,184.046997,184.073013,184.099609,184.107071,184.114716,184.122375,184.129608,184.137619,184.144867,184.152481,184.160065,184.167633,184.175049,184.182785,184.190277,184.197769,184.213165,184.220276,184.243347,184.250717,184.257889,184.273026,184.30394,184.31102,184.327087,184.333694,245.636246,259.321198,289.830322,319.842255,322.409424,454.331024,482.359406,509.492859,551.490417,692.560425

0.0005859164550487822,0.00042228019206831354,0.0038399119006005712,0.0004613830896652359,0.0003654926319278362,0.010926069371415199,0.0004717015340156711,0.00041657346104707833,0.023008843568946523,0.00037798405021858915,0.0003961090352479982,0.00042828629805745003,0.0004773642119486229,0.0004194411220821908,0.0004191074158298049,0.0005128705555081979,0.000368073018574122,0.0014593712955398492,0.0011722140851155528,0.001446458893325208,0.002111149696273051,0.0024141378781100046,0.0017556763404304435,0.0024390220599003654,0.0018302393310118106,0.00267433545242423,0.003205205710797304,0.001795699259862456,0.0031931843988176013,0.0032575053657456993,0.003684824900050458,0.004057036347165224,0.0039108451664449095,0.0042942465012233266,0.005688694255899419,0.005096782604358652,0.006954193565425586,0.007125566129137298,0.006326676708831405,0.006589929040616761,1.0,0.00662404140492179,0.00829192622450433,0.007091286652480566,0.005384837422929915,0.0064160808207537135,0.004465415139172226,0.004680445307917656,0.004628402318416395,0.003729116621512223,0.0034663782424235044,0.0033400041099103457,0.0031376382611771145,0.0028734086966558533,0.0032478294126710235,0.0021993430725741423,0.0027693005886049848,0.001884689934203525,0.002591063814691881,0.0014259190040996387,0.0025409953526838256,0.0013514885861885114,0.0016494721958931606,0.0010100669117378434,0.001553316491158218,0.0004530301761579243,0.00042821491785632784,0.000468763526292911,0.0005078630878438802,0.0004136086446625012,0.0016684579231356121,0.0019438813060602966,0.0009529000148779347,0.0005280718562950342,0.003979835550639778

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

WYKBXGAXGHENAM

C38H78NO7P

C38H79NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413866

91.054085,93.06974,95.048927,95.085411,97.064674,105.069664,107.085342,109.100883,110.139641,117.06958,119.085274,121.100746,123.080223,129.069473,131.08519,133.100891,135.079926,135.11647,137.09523,141.069595,143.085129,145.100754,147.080078,147.116302,149.094833,149.132965,155.084412,157.100998,159.116287,161.093307,161.132034,163.111053,169.100677,171.116226,173.13179,175.148117,181.100998,183.116852,185.132172,187.146988,195.114243,197.131332,199.147568,201.163101,208.213074,209.131897,211.148392,213.162338,223.148758,227.174973,229.52063,247.457169,256.135376,348.498718,354.277863,385.272858,451.140228,499.23584,530.404053,651.536926,652.706848,695.502319,700.529236,813.090576,821.038879

0.5033848976132955,0.39539058125185145,0.021486096333596192,0.24009593836148674,0.04841078518893971,0.3101750038800315,0.22305404284811145,0.113371560126134,0.017200239267885633,0.3478737571625939,0.36897921040601966,0.16570462723047044,0.030355726253657466,0.1498536212383524,0.47623295109382574,0.2265681156562284,0.027616358264435755,0.09188570670280051,0.018706231757125814,0.05197427259787402,0.16446547018617177,0.2637973110744536,0.020382637122616752,0.11453439780975654,0.02620269819827513,0.030260657697559725,0.04895542986109775,0.1145326704356049,0.19202916153131214,0.01620516829835416,0.12867848823670694,0.02121850178371951,0.07402446905094232,0.1257538188800734,0.08532254861370385,0.03753575484893014,0.031820422579489006,0.041818450672540634,0.0771296490064206,0.03504540312747157,0.020858929056047963,0.04332594449405412,0.046336784624222756,0.11762481411485844,0.014695234116340557,0.020907569940648008,0.024337514228960827,0.03174079918044959,0.02889522241690084,0.018567362575416135,0.014960788651163159,0.014332998358124918,0.015023051718874856,0.014901573233427317,0.17087356046050184,0.18890381987662735,0.013212836701233986,0.017034602530494467,0.015100635112072859,0.01916052666322389,0.01716316145349455,1.0,0.014907097228561619,0.0121614854957631,0.014885854801171872

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RBDNSJMXMWTPCS

C49H74NO8P

C49H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413868

91.023499,91.0541,93.069702,93.110497,95.049179,95.085434,97.0644,98.942108,105.044388,105.069679,107.085312,109.10096,115.054108,116.166183,117.069725,118.165405,119.08532,121.100914,123.080269,123.116417,129.069458,131.085205,133.100708,135.116302,141.069534,143.085098,145.100815,147.080872,147.116409,149.13356,149.569,153.318512,155.0849,157.100784,158.428436,159.116501,161.132202,167.084732,169.10054,171.11618,171.691559,173.132065,181.101761,183.116898,185.13237,187.147598,197.131897,199.147232,201.163208,206.231934,209.132507,211.14946,213.161392,219.511353,222.970612,223.148849,224.854782,225.161072,241.44458,286.790985,303.198334,354.278564,378.969269,379.0466,385.272797,416.046021,517.468567,695.502136,734.750122

0.017898991396994947,0.5607225813969224,0.42829981064802314,0.015444117125815745,0.039162755368684694,0.2078138176349501,0.037249898923303694,0.014843527631718662,0.025227560776600842,0.33759111529454333,0.24589131994970317,0.11753868021531452,0.035513905898569946,0.016632301963304234,0.34890114379737525,0.016990478931180025,0.42951955468260683,0.1531670765369393,0.025538051109903027,0.020416411239648626,0.15806241750078048,0.4583639060685346,0.2476655031154599,0.08468349000344347,0.05674703409382227,0.17940175431409086,0.31209314259737503,0.037319615141981476,0.15013370585825192,0.020628348113842423,0.015389488966340806,0.017335098582172893,0.04786113368005896,0.1239395978691869,0.015491431067744005,0.18616602229647036,0.12045070591143213,0.02387646181845615,0.09193131592850104,0.1284270103256202,0.017509855678773088,0.12936872868846797,0.034658240989795225,0.05595547587057878,0.07639221204385373,0.0326108687213549,0.03634444657393049,0.044218818543254164,0.12148550070061849,0.019360194176712753,0.02407673791320458,0.02340767860630364,0.031100668041814144,0.017002650421669686,0.015970442307145283,0.025475829925765,0.014351105393481518,0.02388847595485441,0.014905050390291587,0.017039036519971115,0.01644391578161056,0.16670042697604717,0.014959493582949398,0.017306115023695234,0.20532558840098733,0.018060421701134578,0.015901695055423156,1.0,0.018148222615587035

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

RBDNSJMXMWTPCS

C49H74NO8P

C49H75NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413870

91.054123,93.069748,95.049164,95.085396,97.064789,99.080719,105.069748,107.085297,109.10099,115.054596,117.069626,119.085289,121.10099,123.116272,124.051437,125.095383,129.069427,131.085175,133.100861,135.116623,143.084839,145.1008,147.116562,149.132462,157.100586,159.116608,159.704559,159.72049,160.967148,161.131912,163.148453,169.100983,171.116257,173.132385,175.147934,177.163528,183.115311,185.132309,187.147339,189.164795,199.147903,201.163406,203.178726,213.163834,215.17865,224.865616,273.187744,354.277832,358.311829,385.272888,389.302948,403.647888,447.626923,464.178223,491.370758,517.84259,623.482605,662.631042,699.532532,730.308777

0.31051671567073436,0.19221732842803724,0.020786349105458343,0.1671857816075679,0.021423122869266793,0.019957604165706164,0.2349682538315174,0.14021346545321678,0.09582937374651533,0.013683191114420248,0.171664068324564,0.28152407607595126,0.1397459236041096,0.02952954517023962,0.01296808225487862,0.01294468414081326,0.053018095714964734,0.2535703568312505,0.24486717110821507,0.06624219081728702,0.06328619406130592,0.14578213965261827,0.10256106777115129,0.023010190245006116,0.05575541099235444,0.09114395719312628,0.012395318114839779,0.013636578189436461,0.013232255087647742,0.07573349844074784,0.022765636760778547,0.024511878991466486,0.06347673217762562,0.06720750465544276,0.028252980273208345,0.013784700016357915,0.032283523944327965,0.028787186362913705,0.030185046138670818,0.018616851476535582,0.028682949775952357,0.06312367625111384,0.12528735047561826,0.02482003576427474,0.0247232234089139,0.01211056714251189,0.012277866097098415,0.09380709170358409,0.04082701696120483,0.06535625162574207,0.08584131957737187,0.012948202702288091,0.012621544319037413,0.012147042258383185,0.011709466507211183,0.011093522119526312,0.02204070540839904,0.012395159173008161,1.0,0.011548340746678907

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413871

183.977982,211.234177,215.248871,217.153931,227.269272,229.214752,239.112854,251.001648,288.023682,291.421722,293.458252,295.237518,297.343109,349.277069,353.276886,354.370056,358.431885,370.355896,371.335876,385.307526,389.431702,452.308319,467.370453,470.43399,494.501984,508.542542,511.466492,512.406616,530.575623,561.538818,577.602295,627.722046,652.725464,654.361694,655.762573,688.538696,698.648071,699.554443,700.188721,700.855591,701.631836,702.423584,742.641602,797.395386,822.828613,840.469604,843.483398

0.0005746431004531667,0.0004016357400619525,0.0004115987882258519,0.001090783572230519,0.0008327615076350017,0.0006935179741163115,0.00022168230619619032,0.00024238398937859998,0.0005857868811226113,0.0010034179188744103,0.00022697255415706906,0.0009940564285404337,0.0007327745953799525,0.0006966267936449374,0.0005011374446570758,0.0029883913485189545,0.001558444950803026,0.0003254578946174742,0.0019010788439416167,0.0035323196300390187,0.004664695896333847,0.0005569989878225076,0.00034112977684385874,0.0006202810006365623,0.00046269210715591875,0.0004993447651594228,0.0006740103266349278,0.0015098580172500549,0.0005339913646330015,0.00043116040867175706,0.00047968950499866246,0.0003769678569602837,0.0007024825857851167,0.0024285321736681174,0.0036909658424918957,0.0007043032970161039,0.006850358450639772,1.0,0.02451917017411949,0.0021170678259119576,0.001170230973590922,0.0021392883750431363,0.0021703931465332873,0.0008582984483766702,0.0010443946433136933,0.0011480250790909554,0.0008317461465189904

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413872

91.054077,93.069687,94.227837,95.0494,95.085327,97.064316,97.10099,99.080215,105.04451,105.069672,107.085297,109.06456,109.100899,111.08049,117.069633,119.085213,121.06469,121.100861,123.081017,123.116638,124.017212,125.095299,127.226112,129.069382,131.085129,133.10083,135.116379,137.095169,137.131866,141.069656,143.040268,143.085251,143.229584,145.100739,147.080093,147.116516,149.09549,149.13205,155.084991,157.100784,159.116348,161.095078,161.132034,163.147232,165.128143,169.100372,171.116058,173.132004,173.535233,175.147476,175.772034,181.100113,183.116333,185.131317,187.147003,189.162369,191.179977,197.132172,199.146469,201.162933,203.178787,211.148743,213.162933,215.178665,217.194977,237.16037,265.368896,269.34613,290.220337,297.256866,315.265961,330.202271,335.457855,353.375854,354.278229,358.309723,371.291229,385.272491,389.303864,417.911072,443.706207,446.957062,476.112396,504.637238,584.192383,623.475586,624.485779,699.532349,712.538452,830.935852

0.329510146122537,0.2032982118608456,0.006306820832712692,0.00903720660386384,0.18194270740978905,0.014150710035252416,0.013648416470180766,0.025148624632610726,0.010485283701418937,0.2695553991806326,0.15517222261701052,0.01159574999485322,0.088446233634753,0.01026332762948996,0.16504505249594614,0.3276149200335691,0.0135330361134423,0.12729507603065787,0.01178207833520434,0.023657695148342314,0.007534909735164861,0.014901663337608189,0.0071192705862122,0.07398159602499034,0.23836816340845213,0.22071400751066594,0.07271837371436461,0.016913750428393756,0.011327664483220892,0.018302615906093667,0.0076661449454380765,0.06783159114463179,0.00663694207147606,0.14077947908772415,0.013303424907267132,0.11102521475636354,0.011489434452424981,0.026731313916045725,0.01645986165939457,0.04912115796497525,0.09254670362660293,0.007814386880433637,0.07800968942270081,0.026791029334224635,0.009629468307339066,0.025997876465167196,0.05743132038282356,0.058573867726540066,0.006716281365386269,0.04314574625284132,0.006394152889644557,0.01853838029739912,0.02718599740602282,0.04397224913322168,0.035827126636221944,0.017519999021506277,0.009007875750673017,0.012669724062347489,0.03029253806013619,0.07762228067995626,0.1362307661775409,0.013483377721587048,0.019684801914360003,0.018393857713933485,0.011096929791864213,0.008119627484532412,0.006877865072012536,0.007451323642854634,0.007071749195588543,0.017055798963135735,0.012938211667084464,0.007415205705296582,0.007087093159142074,0.006061205179719507,0.10076211892331781,0.041372179069195734,0.009809807248846213,0.08340365689262848,0.0873601116548533,0.008930947823759717,0.007763227149810053,0.0066961324066707115,0.0075565931561145565,0.008067571918683295,0.007850329783871566,0.0136201269183866,0.010023550590426505,1.0,0.006930412016096706,0.006815378763053142

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413874

90.493195,91.0541,92.481628,93.069763,95.048653,95.085327,97.064644,97.100937,105.069725,106.590767,107.085335,107.71685,109.101036,114.184593,117.069672,119.085297,121.101013,123.080605,123.116577,125.095726,129.069412,131.08522,133.100937,135.079895,135.116287,137.233459,139.112564,142.910583,143.085205,144.452179,144.554398,145.100967,147.080902,147.116516,149.132797,157.100754,159.11644,161.132446,163.148773,167.083984,169.100784,171.116455,173.132263,175.147812,183.118408,184.070938,185.131836,187.147552,189.162262,197.131409,199.147018,201.162949,203.178955,217.194839,240.156311,243.211227,245.016083,255.262726,257.590942,297.258392,312.569855,315.267029,354.279175,358.260925,358.310333,371.292114,385.272797,389.305145,496.695557,554.415527,589.93042,615.509644,699.532593,754.539062,758.592712

0.009571201518413796,0.3048666163094886,0.01018646338630033,0.1888879823870038,0.016325595261390238,0.14824797077678808,0.016485391450063072,0.011737355169936068,0.22523805857023882,0.008943220788625986,0.12138000652212061,0.008605809087894175,0.07802820636777417,0.01047272938419835,0.14978058555646975,0.2763701660139724,0.13839044921173072,0.014449251817308382,0.026835205062146046,0.019880977287317886,0.042974933237396186,0.21369325457214688,0.1758604647360454,0.011314844533033757,0.07178616325446163,0.008727644540653142,0.01838149093261886,0.008657455990915683,0.06654606798269358,0.008754307185339443,0.009551348607382411,0.12547022514650016,0.016144052264659654,0.09203011561426475,0.028560744461233644,0.041089177876220774,0.073098636918484,0.06600938100683507,0.017973160641677904,0.01286029470230897,0.029700844168417496,0.05595710691208391,0.06174479484979975,0.040856814193689944,0.021468046117757756,0.01695053157870666,0.04522180066559989,0.03644036823834726,0.017431328281598046,0.017463709822958046,0.02668235690038078,0.06093115271122922,0.10530516216088238,0.01174667161758888,0.00845408195887168,0.010136424679291782,0.008285920480409333,0.01035155447738081,0.008172747249137406,0.013339745039965375,0.009294195814747983,0.014170055986477031,0.06954932827746489,0.0115442052237884,0.03098647197751491,0.012557145098853868,0.0733173684941537,0.0702231450634525,0.00959509281784129,0.009683158949060557,0.0094105299804331,0.011096649258471331,1.0,0.012766930856698172,0.011813821367321776

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413875

193.113785,239.038361,249.140961,295.253357,297.270966,302.316193,354.271179,358.334717,363.521362,371.464539,385.268097,389.45871,452.319641,494.308075,508.292358,512.30426,513.222778,526.322876,530.289673,549.401978,577.442627,631.527588,653.721436,655.585754,688.401978,699.555542,700.539429,701.30896,742.452393,797.648926,808.611938,822.647705

0.00032433646728646765,0.000593939486214025,0.0007084462354195205,0.001234609673544649,0.0014934033272325713,0.00029011955214480154,0.0021073903948325102,0.0025219686543906873,0.001200727514740976,0.00043098519178653565,0.001669032777730927,0.005292164722096231,0.001156079715611797,0.002319648571791079,0.002048141501212935,0.002212603375248532,0.0014547166427726483,0.00039359968516116875,0.0017213864517496577,0.001397946205409545,0.0017736282789696928,0.0007787788234418175,0.00017737910956224184,0.005734413814009569,0.00026018140612309865,1.0,0.00887879639181328,0.004557854057310696,0.0018102997578688816,0.002163192599464075,0.0002847131312256454,0.0010077219268075691

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413876

91.053978,93.069626,95.085243,97.064331,99.079956,101.599106,105.0513,105.069626,107.085297,109.100929,117.069511,119.085136,121.065353,121.100807,121.752975,123.116371,129.069565,131.084991,133.100739,135.079987,135.11647,141.068558,143.084915,144.562485,145.100662,147.116241,149.131271,150.261658,154.239105,155.085037,157.100739,159.116394,161.131943,163.144806,168.553986,169.100037,171.116043,173.131851,175.112259,175.147522,183.11557,185.131317,187.147537,201.163696,203.178665,213.163559,213.524155,215.176849,217.193954,230.77861,233.606537,246.536575,256.156067,300.922791,315.261261,354.277618,358.308777,385.271576,389.303162,485.078369,526.347778,624.47699,699.531311,818.432312

0.3577944661707931,0.2440966917150646,0.16949793145971037,0.01596127291948612,0.0151648775409217,0.011900498376629815,0.012088987864683166,0.30023591119529397,0.14963066909704412,0.07281708931186871,0.17654214301586743,0.30765606047470073,0.0175590684834721,0.14399178405173188,0.012880642025476315,0.026859604920669168,0.07630627398773177,0.27250928042007894,0.215253756225227,0.014371559815782847,0.07751974528091972,0.023096719825459685,0.08356165960415218,0.013621443028383771,0.17639486798009088,0.11450199526880168,0.017734417966516012,0.013755026363037149,0.012297538057828518,0.019011453107958688,0.06211282120235267,0.09266844471295235,0.08294245521508432,0.011987222240017777,0.012054592431284965,0.025631902469934145,0.04855477727615279,0.06753351263659148,0.011600056618161311,0.03187137916918262,0.02789866819202137,0.032918083354199774,0.026678132160661873,0.06821792656075441,0.1250621893183614,0.016357834342710056,0.015121553273074774,0.021410827748106976,0.02114145993987328,0.013516536677713471,0.012060367366830084,0.013235236768378254,0.013188921465855895,0.01590557592941632,0.01619890774692682,0.12157317787228615,0.04885322500636269,0.07606767698338858,0.07389614219500573,0.013179249804862852,0.012414678730448239,0.030763225648375067,1.0,0.016341273996097257

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413877

526.115234,699.531494,840.641357

0.020856678024080515,1.0,0.05997200886964263

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413878

91.054108,93.069733,94.200279,95.049156,95.085411,96.699226,97.064476,97.101082,99.080467,105.044983,105.069695,107.085297,109.063835,109.101013,115.053665,117.069633,119.085251,121.065758,121.100922,123.079666,123.116638,125.095665,129.069458,131.08519,132.748352,133.100922,135.080124,135.116577,139.111816,141.069595,143.085098,145.100906,147.079529,147.116531,149.095871,149.132019,155.085892,157.100983,159.116455,161.132278,163.146973,169.10022,171.11615,173.132019,175.111603,175.147507,183.115891,184.072495,185.131989,187.112305,187.148361,189.163513,199.146912,201.163345,203.179108,205.944046,213.163956,214.815689,215.179459,223.145798,225.163681,227.17746,273.179474,297.260193,312.83783,315.266571,354.277954,358.30899,371.289337,385.272949,389.30484,422.754425,699.532715,700.645996,769.773743,803.138733

0.45444549476532725,0.2873107800231759,0.00860844066366139,0.03030832852176592,0.25711795031247275,0.015626461964057255,0.020457296082200774,0.013364709450543561,0.02359782761415472,0.015042745554044732,0.3417213497484812,0.18593263854299935,0.012466635381431146,0.12022184091685478,0.018885255999946414,0.22702376262785262,0.3660130582143838,0.011924695464623259,0.16713801153436533,0.017624657807130944,0.03885888404680729,0.028195914316143423,0.0979395252691017,0.3226168769198824,0.009579900986650413,0.2880018235952121,0.01565136940111057,0.11705640031347753,0.019052218067826355,0.029708757744837336,0.10093441593376783,0.18659716389917813,0.02098596299893498,0.13591641362957405,0.016073476117433504,0.03962321248819436,0.013191368838458601,0.07811709817606988,0.12490419688799877,0.09201486207658766,0.024269710247633847,0.04236501245202388,0.07387501396582559,0.06951964189881642,0.015426595781449903,0.048343369481489415,0.03442256730054323,0.01965573320919266,0.06029790203157549,0.01342629611569196,0.04354834379374786,0.0246479775207143,0.026582206493271622,0.08783913883437268,0.15738813786312822,0.00940967646172292,0.026959813092375395,0.010217271178153029,0.01948220045146122,0.017457878882466023,0.01609778994326593,0.016111256736752563,0.009874896545718822,0.02246791374009498,0.009859248243387166,0.019856940365589815,0.11869788718828077,0.05642033539415779,0.017484858258592164,0.09557182253689055,0.06985361838800212,0.011483168601340988,1.0,0.010471193411613403,0.011058242596772789,0.012306921824867877

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413880

90.706863,91.054092,93.069763,95.085342,97.058083,97.064484,99.080048,103.572044,105.06971,107.085403,109.10096,111.463066,115.535461,117.069611,119.085304,121.100922,123.079742,123.117401,125.095657,128.200928,129.069427,131.085251,133.100937,135.079285,135.116638,137.097061,139.110397,140.914429,141.070038,143.085037,145.100754,147.116547,149.095642,149.132553,155.08493,157.100342,159.116592,161.132248,163.147552,167.084396,167.607758,169.100235,171.116302,173.13205,175.147446,183.115112,185.131592,187.147858,189.163574,195.117142,199.14711,201.162872,203.178665,213.162949,215.180176,225.16478,247.214859,258.470581,302.55304,305.066467,315.267792,352.328857,354.278534,358.309723,359.250793,385.273712,389.30423,395.92569,406.563507,465.311401,467.333832,624.486206,625.501038,699.532959,742.567993

0.00938046475986386,0.3213933346095199,0.2183869324415998,0.18149989718930426,0.008957692219072892,0.02096242568953458,0.033671061931709496,0.012650641160357058,0.2358565513300325,0.15519380450461928,0.07494538277068241,0.009399222699279841,0.010938349423229717,0.17475383227873717,0.284834386117587,0.14971167610703562,0.023983595731961613,0.02592032844600326,0.03078656114824853,0.009284772310670857,0.06474655777121778,0.2763939643546129,0.2011388132379315,0.01369131137464824,0.09867935466771782,0.010159567304505889,0.012771802159136404,0.013186311561575457,0.01420536264061736,0.07536096689355638,0.1674083639237003,0.0884611110155302,0.01903806074227165,0.03183477991189376,0.017767466077791484,0.04694239814916647,0.09202565880156786,0.08045646333268362,0.02702351378887678,0.01659568735170592,0.009461367068796111,0.027260561433539388,0.05537223152405935,0.05702499479834183,0.03780965094699506,0.01930613767788484,0.0449347680748638,0.03376000831626488,0.0227932689011547,0.020491164649486058,0.026192779400112446,0.0794668152908642,0.11248206950716184,0.026079312990570522,0.029197433096570954,0.011638538883946508,0.011132885448460174,0.010342461493900546,0.009720135926213475,0.011671371666116774,0.021008047330697478,0.011439282182061302,0.10397996630373749,0.04084703675352067,0.009132106344527552,0.07425062148472478,0.08683535464303617,0.01227370719212452,0.011339760168386942,0.010301603777454255,0.010774962502400108,0.020470562107929236,0.010604712554939362,1.0,0.013748097038092865

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413881

177.158569,237.280716,257.197113,285.254944,342.453186,354.696838,385.282013,389.287476,390.138702,467.495178,526.346191,530.56958,538.429565,610.108276,633.577759,653.988403,654.664185,655.692505,659.217407,699.603516,700.626953,742.801147,763.695068,770.485962,781.160645,822.635132

0.001073731294526426,0.0015288554411661878,0.0018299736711037914,0.0005945373746210554,0.0009348989357794837,0.003999761504162125,0.0020342149591675686,0.001595460836728638,0.001576673912979271,0.0005911239206372594,0.001827388268468688,0.0017416024841432015,0.00121937627184382,0.0032764433310287808,0.0031233917294436865,0.0023557418022116237,0.0030405454732530864,0.023606891164193254,0.0008210582435067888,1.0,0.018344777764258236,0.0034585375208964083,0.0013318074495976486,0.0029227810313129108,0.0003039417659001066,0.001770253808468349

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413882

91.054077,93.069778,95.085274,97.065178,97.100815,99.080437,103.819122,105.069748,107.085213,109.100975,117.069565,119.085251,121.101013,125.504379,129.069702,131.085098,133.100983,135.079025,135.11647,143.085175,145.10083,147.116486,149.13269,155.084885,157.101074,159.116302,161.132217,169.100769,171.116364,173.13208,175.147614,183.115463,184.073166,184.250977,185.131821,186.556854,187.146606,189.161041,197.133606,201.163071,203.179413,204.587387,211.146347,215.177887,219.693283,315.268036,335.831024,343.254364,351.990814,354.278107,355.16983,358.308594,385.274261,389.304077,425.794403,507.215546,528.878357,545.308411,556.238403,644.078979,656.382751,661.906921,699.532532,737.667175,816.963074

0.4536698665299773,0.3398801950906147,0.21258882015515312,0.024760006662652285,0.027776573338333194,0.0334211360946717,0.01816945469822451,0.3858629096428419,0.17552843764867626,0.11087905728350292,0.23008781061702335,0.41413404816774957,0.19118779548497639,0.019409736476663414,0.10946570850902668,0.30164845459584194,0.2769893968356142,0.019340716639679498,0.08413231571654493,0.07273750995339454,0.17238131668940398,0.15685975439298827,0.053676615406026425,0.03309749434457813,0.07121662750970371,0.15554488474971295,0.08597834501580871,0.04742623311832615,0.06895379318895209,0.09282193571086841,0.04098076995768581,0.040382802067013106,0.04911394807202705,0.017137237200710424,0.06124864022968011,0.01855440673097738,0.033668188506736814,0.029970613986341772,0.02082740437493568,0.1006127945880476,0.1387636606587633,0.019738702087734393,0.03416744510108966,0.030560089716372276,0.019695018515438603,0.023016045118052882,0.018406209701889265,0.02011361084763375,0.022842105469735145,0.11059157767726857,0.021127385056282665,0.06712179804158634,0.10680122410563442,0.1087552434031799,0.02055265994364225,0.022157100745098406,0.019606588657969257,0.019979193769313452,0.01939405716600589,0.01893068451086975,0.019128127106436396,0.021971886988088267,1.0,0.018520944555959682,0.020499451535008543

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413883

173.123978,184.113022,253.222321,343.176727,352.294647,354.326263,367.378387,372.250458,373.52887,385.343689,389.341187,452.329559,469.409943,474.14032,490.246155,495.176178,508.385254,512.446716,527.356201,577.353271,603.719238,634.203735,653.541992,655.561646,656.543823,699.602661,700.695068,742.743164,781.638794,822.715088,839.745361,840.644043

0.0011867195694200505,0.002731768740511517,0.0018154980262557,0.0010002798551612293,0.001120686095106424,0.0017870297123027312,0.003016067674905152,0.0035012563092979383,0.0008087743592407394,0.0023579305189048473,0.0027149874092158434,0.000758435174287366,0.0005954714957560197,0.0010074881919234571,0.0004906283982255986,0.0008324471790809195,0.0026703545495167648,0.002284320203383595,0.00041136029264794135,0.00045241689807414096,0.0009542994112341195,0.0007071683110010925,0.0010646640244693897,0.010098106775758793,0.0015258156021071213,1.0,0.010540588862775058,0.013194172303961058,0.0012256106578836972,0.005716040669698115,0.0013937294495925138,0.002223370122256856

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413884

91.054184,93.069817,95.049248,95.085442,97.064766,99.0802,103.507858,105.069809,107.049026,107.085342,109.101036,116.502434,116.507797,116.965302,117.069687,119.085381,121.065445,121.100952,123.116539,125.095726,129.069641,131.085266,133.100983,135.116928,137.094635,139.110474,141.070038,143.08519,145.026123,145.101028,147.116699,149.131088,150.476776,155.08493,157.101135,159.116241,161.096802,161.132065,163.14859,164.268066,169.101227,171.116791,173.132004,175.147369,183.116196,184.072495,185.132065,187.146957,189.164124,195.118317,197.996933,199.148117,201.164062,203.17865,207.110611,213.163116,215.179367,222.430252,223.148727,263.266052,289.533417,304.718872,315.268372,341.290009,354.27774,358.309143,362.144867,385.272522,389.304901,405.180969,421.36618,577.744446,623.46759,664.359619,665.861511,693.637451,699.533264

0.36556922034097056,0.27634214589478157,0.022956174102896965,0.17679842136671303,0.018704082746954682,0.025957187044818083,0.011018928987314072,0.2981549331817659,0.019901923195658262,0.15506897887578394,0.09341457144131732,0.009538872166637883,0.011780393067256147,0.015478916195076959,0.22768818680304873,0.321337349657204,0.014880576535761424,0.12876773536109648,0.040409278495570015,0.015072337487607224,0.07051124422885124,0.2304691842720595,0.24370595809843132,0.05320176803005736,0.012012431131372216,0.01354072829472381,0.015244415752411679,0.08227613295378629,0.012540333800371898,0.13974543228525804,0.11249180497074034,0.023151483537186,0.011024988400500809,0.01616800991397522,0.07082917437803328,0.11019913792207951,0.01442686852373183,0.09020294099285842,0.022540050381718454,0.012188523979685078,0.021511174748003885,0.05720976997188447,0.06678847358883533,0.03335951585370295,0.02595688691526925,0.032262564108059055,0.05210222424294539,0.02522253746014326,0.02700191036309725,0.0129026261267277,0.01060034206803524,0.028699719553227605,0.053854235438842386,0.12294528944101694,0.011360476811249088,0.019453711490701187,0.02255684089774288,0.015055939536562393,0.01763359080479347,0.01376346917241847,0.012839229279088331,0.011910805006161629,0.016397429412969247,0.011733335038807594,0.09148261044059502,0.0427951976204184,0.011753261753399363,0.07801377356621587,0.08630612610911002,0.01328145508210936,0.013019491332884865,0.012498974408779428,0.013050462194001798,0.010613960797106444,0.012425677110600252,0.013944057134371343,1.0

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

AKHBLRYFRJWEOC

C49H78NO8P

C49H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413886

93.069496,95.085335,97.100952,99.11673,109.100883,111.116524,114.918633,123.116463,124.015678,124.999428,125.132004,134.06543,137.131973,139.147644,150.444107,151.147552,155.010056,165.163147,179.178696,184.072739,193.19339,200.564041,221.225769,239.236191,249.256897,262.962646,267.267242,281.200806,282.27829,285.278198,285.573456,310.309814,313.272736,341.303741,378.355164,421.267853,476.057556,506.921661,578.539612,578.590515,578.666565,578.719299,578.7948,578.882812,578.96228,579.014648,579.094604,579.180054,579.267456,579.348572,579.53302,579.709473,579.750916,579.79364,579.931396,580.004028,580.057617,580.139587,580.1922,580.253601,580.313293,580.361755,580.436096,580.490967,580.55957,580.613831,580.835449,580.866455,582.522461,719.435486,719.582825,720.432251,721.366455

0.0012663798515479927,0.09114124808499607,0.04727148428996984,0.002377170095307756,0.07171948929877123,0.026118451054676025,0.0010590769980964498,0.048176583927528674,0.0013257677216340347,0.002116322619365484,0.010902993083763864,0.000978733507658816,0.03127494617972069,0.0034361174458814665,0.0010080146754224719,0.01187474439723177,0.003523539306808851,0.008730850175256634,0.0029038504022750743,0.16907672389199407,0.001946281714687293,0.0010401038266031563,0.009149186026129628,0.06618946379707134,0.007703555499038971,0.0009468286767132894,0.04626997036786699,0.0011412159390937063,0.042759278592755315,0.0015185022349376923,0.0011592598097500935,0.012518024301141389,0.03171605831551861,0.02568062901405332,0.001107159625039117,0.0018944394887320819,0.0009820098816430741,0.0009558857028997006,0.0016852421091669634,0.001782639473353782,0.0021795279967890655,0.0016588144482440805,0.001965322947382564,0.0027287029752211716,0.002733957445525,0.002669543274318822,0.003646298016599195,0.0037680985298870857,0.004881060229808469,0.005629912865364585,1.0,0.004929280761484054,0.00501506783921062,0.004592656856773758,0.004480046923694498,0.0025863761799503303,0.002771048016513506,0.0025249002008890394,0.002230484770855905,0.0014836742748120472,0.0020442187644278673,0.001470856867216378,0.0019112791411642243,0.0018773644153224078,0.0012875668766958546,0.0012750748199990562,0.001031249530739062,0.0010433595584759853,0.0012074107190863325,0.0038677315031099926,0.0026520518068188477,0.0021197546391109466,0.0022801856665790356

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413888

92.507271,93.069649,95.085419,96.062592,97.101036,98.984482,99.080597,99.116356,101.740494,104.106773,109.100975,111.116676,113.132545,116.477463,121.10157,123.116554,124.015053,124.999519,125.132187,128.447083,137.13208,139.147964,145.623932,151.147858,153.162582,155.010071,155.177338,165.163376,169.199615,179.179352,184.072891,185.076675,185.271484,193.19545,221.2258,225.390671,239.236313,249.256836,257.247101,263.541351,266.14209,267.2677,282.278503,285.281616,310.309906,313.272949,336.362152,340.002991,341.303833,361.218384,364.356812,510.404083,579.190063,579.22522,579.307922,579.354797,579.386841,579.53363,579.693054,579.736877,579.768738,579.845398,579.89679,580.539185,601.952637,719.434204,719.578918,720.434998,720.584473,721.362061

0.003285930584801253,0.007973767647298893,0.5869225755756569,0.0031244847923422568,0.24276268594779643,0.006820684023752953,0.012406668743023598,0.010672994724252847,0.002763446904051934,0.01370531058874738,0.40776694107027195,0.11287363531548866,0.007100538721575687,0.00316614113717756,0.006290633717412343,0.24019365223360223,0.008357835922577994,0.04062959196423637,0.03488839772447879,0.0034473276781071616,0.1107904305799671,0.007968256713251572,0.002987910975206705,0.04804352292853161,0.003129870410829319,0.018497015327114185,0.004270750307486474,0.026487878604285274,0.003407302123641224,0.013784864733673985,0.9799377983895045,0.013232083625958938,0.002772791481391596,0.006755555736863873,0.03383440720288799,0.0031593108859051576,0.1387621482207417,0.02434387772121668,0.01064621058725171,0.003630312043475345,0.0028863946612711967,0.0807408139714348,0.2137485832489693,0.00455550554732094,0.05532615054969086,0.1182197281343232,0.004998240499315256,0.021437979382495663,0.12144323871796478,0.0037288473535870385,0.017030608714931235,0.003105880056148229,0.003180486477768849,0.004634458818747265,0.005193223184133628,0.004339153991885364,0.003637257878988747,1.0,0.004625507537073008,0.004450705381260057,0.004897291935511993,0.0038682179887603047,0.003031133580132495,0.020348855606619035,0.0030129004923834793,0.011527050936680234,0.021020841105397692,0.009203644331251527,0.011486949616942918,0.006740437650084043

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413890

91.80629,95.08532,97.101028,98.522903,103.334366,109.100983,111.1166,123.116432,124.999092,125.132317,126.915207,137.132141,151.147675,155.010635,165.163574,166.697662,184.072571,185.074707,221.22435,226.785873,239.236206,249.255829,257.107422,263.75293,267.2677,282.27774,310.30957,313.272614,341.303711,531.912903,579.341064,579.532532,631.752136,647.563904

0.003397388995646701,0.10266441454301069,0.05681963007566745,0.003162336579988262,0.0028780276266563353,0.08540127953725901,0.03034735518836416,0.04983818062312196,0.006312761148755665,0.012400445018648135,0.003224105903132947,0.030397336511025257,0.014952486704664897,0.004702961413157509,0.010803574641432834,0.0035172399067250333,0.3757601437450979,0.003825290406753042,0.009104723176107702,0.003260344590330092,0.061345683566455256,0.009207302634394447,0.003204993894192876,0.003178918159869804,0.05029753587066331,0.04203221392924766,0.009643877096677578,0.027676396865982077,0.025261003778633228,0.0033168032339102567,0.008092723003815774,1.0,0.003611647465748311,0.0032936666753737276

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413892

90.822731,92.165146,93.464149,95.085503,97.101181,100.577629,104.107117,109.101128,111.116821,123.11673,124.999641,125.132797,135.160294,137.132309,139.147385,141.193954,151.147736,155.01059,165.163391,180.988129,182.072525,184.015808,184.021317,184.03064,184.037186,184.046082,184.072845,184.105881,184.113159,184.120575,184.128281,184.135727,184.143051,221.225998,239.236298,249.257736,267.268158,282.278931,310.309418,313.273407,341.304352,552.297607,579.300354,579.336975,579.533264,579.720886,579.760132

0.00301135177722909,0.0023489582235489883,0.0024949550165996267,0.09766021709478945,0.052927994049476554,0.002618942924467037,0.006996088204012513,0.06877134856288383,0.027967667253684155,0.05186217430683699,0.018594971868667976,0.010395357879292853,0.0028317269388349916,0.03297389140521119,0.006492766028162199,0.002411955821167028,0.014291734799913573,0.003677256226680771,0.006016399593105187,0.002735311191894042,0.002741854821204687,0.004655561645175437,0.0034851835404573032,0.005266684073678481,0.004785672506427823,0.006697674220463543,0.972957675347356,0.005804438658810821,0.005165192201801594,0.004228125190717793,0.004571397113141828,0.004030325758405337,0.0031712808660197176,0.004432066736907516,0.0649535683245716,0.008830288896071792,0.04251363466602529,0.04516063764604151,0.013353200579083256,0.031069159120127327,0.030512714935830448,0.0027559128507322573,0.007910588135072233,0.0052141787848232375,1.0,0.007853783510919017,0.0051279250201443725

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413894

95.085464,97.101051,104.107109,104.318962,109.101074,111.116768,121.273842,123.116592,124.999191,125.132278,126.187897,137.132278,147.412842,151.147644,155.010361,155.872635,158.592224,165.162674,179.795181,184.023132,184.030273,184.036819,184.072723,184.113632,184.136414,184.141739,221.226166,239.236267,249.257553,267.267578,282.278656,310.309631,313.273071,341.304596,369.044708,447.646881,523.582886,579.298889,579.338379,579.532898,603.279541,607.879333,719.575806,720.59375

0.10993347397471422,0.059856409097748496,0.00567285831880654,0.0030115852835935924,0.07011741328513496,0.026680199284364277,0.003034646644769437,0.05068092911169422,0.013688791067398206,0.00914202864010863,0.0025971850560581318,0.02968753762959429,0.002455559344551076,0.013492772537937868,0.003413251646879645,0.0023363480998954073,0.0026798132851349617,0.0055642541094005175,0.0028068921188322293,0.0047255454758977555,0.004188954870910325,0.0038568547222782904,0.8455367956034278,0.005468271101161532,0.004746644864854946,0.002431605816833954,0.009399824867423894,0.06477406439987522,0.008105999170596546,0.04415778119162522,0.03667778229260326,0.008540794997889792,0.031202462979613557,0.022515384303723143,0.0028652095491494946,0.002910061992403252,0.0029226811751105566,0.006542702196451181,0.005253964757693084,1.0,0.0027059937684643194,0.0029159382644916233,0.003132401229425473,0.004208850516542195

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413896

95.085472,97.101097,97.798233,98.298737,98.983688,99.080406,99.116798,101.344063,104.106834,106.290474,107.362091,109.101128,111.116699,116.331795,123.116631,124.999596,125.132446,137.132278,151.147705,155.010513,160.908295,165.163605,183.985291,183.990372,184.000061,184.006531,184.015625,184.021759,184.029907,184.03772,184.044693,184.072815,184.096771,184.105682,184.112518,184.121307,184.135773,184.142807,184.149872,184.159042,184.174011,185.075745,188.47789,221.22554,239.236237,249.257248,267.267639,282.278442,297.669067,300.282135,310.309723,313.273376,341.304657,482.365631,521.696411,579.172668,579.212097,579.253052,579.297913,579.338989,579.381775,579.533264,579.678894,579.715332,579.845825,579.886963

0.1499746953243179,0.07340780484037054,0.0020138870779590704,0.0017523115403225292,0.0031012165753674216,0.0025990396239200164,0.005755725221412643,0.002005672697180427,0.010828061311169595,0.0020317535902143473,0.0017908250558919905,0.1095566396215274,0.032361453905118395,0.0023799567303084846,0.06885905895065705,0.01794745718848432,0.013320170585228441,0.041279309403468974,0.014776591249290174,0.00476850080055613,0.002023173103602613,0.013289983325702488,0.0028317370082411833,0.0022514566870720813,0.002693132896738857,0.0026245420911256926,0.005019047932071125,0.0037067753593855307,0.004045691970343338,0.004813162499826079,0.00451841285030101,0.8823935386479477,0.0027600096339807697,0.005107553537654486,0.004399255723231888,0.005633013485206454,0.004472289282612503,0.002996965135855279,0.002326286596364059,0.0031603240194536504,0.0027374623989584773,0.0031349058685647166,0.002044525267288742,0.010307978991139334,0.0779345424279145,0.01259272217301869,0.04906902190882802,0.05202961833348309,0.002154003348903206,0.002241388425049338,0.01407843814041077,0.03741994844972465,0.03338420207225251,0.0030066791054004674,0.002136339257392352,0.005393992164913652,0.004311185934346465,0.004501400199394586,0.006135521364569478,0.006244369210531894,0.006065599486312525,1.0,0.007081490372976064,0.00527795789151473,0.005183863857215063,0.00427156153892466

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413898

95.085335,97.100975,98.983749,104.106682,109.100975,109.236198,111.116463,123.116478,124.999428,125.132126,128.644638,137.132156,146.857758,147.824829,151.147461,152.433258,155.993164,165.163651,179.55545,183.970413,184.007614,184.014603,184.022995,184.02803,184.037888,184.0448,184.072571,184.098404,184.10524,184.113129,184.120102,184.12793,184.166473,184.172729,185.075974,205.773285,221.226654,222.546722,239.236008,249.256973,267.267639,273.095978,282.277893,309.449554,310.310211,313.272827,333.983521,338.482635,341.304108,364.804108,376.74057,420.63797,457.530548,528.294983,579.255859,579.294189,579.53241,579.762024,579.797424,621.073364,720.595825

0.08442379097532286,0.04872480050834027,0.005901264338184079,0.006651753368779265,0.07268477945219681,0.0021442526066552782,0.02151955015291928,0.048245149183027844,0.01579663897329098,0.00842987552645107,0.002596908144231203,0.02666451744606695,0.0022361613990831983,0.0022885913440293757,0.014664106043594421,0.00229814890395679,0.0026280767611096116,0.0048961586847389785,0.0022620820330047854,0.003720816554696584,0.004013605585298319,0.0037850103967557286,0.005563459770050954,0.003927414368642185,0.0066097602919157885,0.005799265208340852,1.0,0.005114520135916314,0.005550000696989943,0.006226876226126277,0.004666491796286908,0.004245484440298803,0.0033776724122381793,0.003030155508136254,0.0031471239102327775,0.0026447299589685,0.006609622651269314,0.0024805998027443796,0.055447741538157645,0.009961930110155457,0.04141826875845736,0.0025484981637701066,0.03366133705986955,0.002576003964236727,0.011581898969205449,0.025527430617506758,0.0026129977309512723,0.0026075159135666975,0.025394166165624642,0.0026872254994314113,0.002201173391541141,0.0028380355058806317,0.0023692851378519964,0.0024418161962464846,0.004373514980535433,0.004064714390458324,0.8583235970654117,0.006189332663894644,0.003199229456332781,0.0026795949085546182,0.005416237365354439

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413900

95.085335,97.100983,97.332596,99.116585,105.591301,109.100891,111.116585,123.116493,125.132034,129.533981,137.131973,139.147446,144.24733,151.14772,152.896759,155.010208,161.62709,165.162994,171.985092,175.121521,179.179031,184.0728,192.594986,196.479294,201.148346,221.225677,239.236252,248.726562,249.256653,260.189575,267.267426,282.278381,310.310089,313.27298,331.795685,341.304047,357.606598,375.778198,435.328705,471.086029,578.515442,578.589966,578.91626,578.96991,579.02533,579.060425,579.138611,579.227966,579.308105,579.383972,579.533142,579.68634,579.734375,579.799805,579.85199,579.927917,580.063232,580.139221,580.193054,580.272705,580.476196,580.528015,719.060547,719.442688,719.581665,720.586731

0.09202926180635033,0.04923029108996208,0.001124547414711816,0.0022160551164550324,0.0010689309973003541,0.0729655016670785,0.02793698583278468,0.05056046330173505,0.011360062894689507,0.00151384684631497,0.030693660762001175,0.0036571016085745365,0.0015549903557235672,0.009651318206824262,0.001319926102980246,0.0038435416443836495,0.0012278543796050432,0.006370503089772812,0.0012560939462620251,0.0011807660485339837,0.003149881407780458,0.11964264921591504,0.0012585858041015345,0.0014387697675174247,0.001232958454171566,0.009938204866429887,0.06493024040319124,0.0013420059684728458,0.008724032726020034,0.0014684692152203728,0.04506098421763405,0.044716611953855644,0.01201500178933523,0.029740568908453797,0.0014876758597811375,0.026512721294209684,0.001402810627553246,0.0012040639823736562,0.0011572107303574974,0.0013016033833010145,0.0012206282791156111,0.0015165235353044432,0.002314390150580476,0.0029961807751740493,0.0022060575540051985,0.002502864172985563,0.003426047507664855,0.004125810549381334,0.00566150992382505,0.005507561503324289,1.0,0.005827341760098763,0.0046377410892855095,0.004859844165371774,0.004567054009895857,0.003512124413829171,0.0027383995105248957,0.002008619879298087,0.00206169360213324,0.001957748984734758,0.0015539941514999226,0.0011901477590474507,0.0013928692882038069,0.0031976170705390753,0.005357296244050812,0.0036004546471477637

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413902

91.725784,95.085442,97.101074,98.850319,99.079819,109.101036,111.116814,123.1166,124.015404,124.999786,125.132408,127.14859,132.382172,137.132156,139.14798,150.502472,151.147797,155.010071,165.163406,179.177734,184.072968,185.076492,193.194153,221.225952,239.236496,239.977203,249.256454,267.267822,282.278534,310.309387,313.273315,317.341309,341.304413,421.269928,424.93222,578.843079,578.894775,578.969238,579.055481,579.137634,579.223389,579.310913,579.356384,579.390198,579.533997,579.649048,579.699829,579.76709,579.815613,579.895264,579.980103,580.026306,580.09198,580.148376,580.197754,580.233826,658.055908,719.580994

0.0012985495506841833,0.10031660529510705,0.05266529557364324,0.001199870646979804,0.0017047150326846572,0.07179116138515748,0.023715394773952056,0.04221442675739381,0.0024405335223309926,0.004568005921375763,0.009920200866381916,0.0019284041533740796,0.0013825831585643586,0.028706279649985424,0.0025660405735535934,0.0014191638119653315,0.012947009004466487,0.004014117677161512,0.005308326606194204,0.0025630130984320263,0.231935883378646,0.0025379652079332094,0.00236965676339885,0.007946528551403327,0.05949460077217822,0.0017247655140067142,0.00830690482968851,0.04321164745945489,0.04048766893772263,0.009164233112558155,0.030160029539590457,0.001374390862594732,0.026727688499157454,0.002345976273327093,0.001611642232211691,0.0021371777835966473,0.0016199220703389144,0.002652203636714566,0.0032112960424483315,0.003951618457285947,0.0047968748859252,0.005153939659605004,0.005039657351729321,0.0056538248966492835,1.0,0.002999638464948851,0.00468533169952471,0.0057766202765064684,0.004259459855963065,0.003892997070964209,0.0030013359342645836,0.0026766449952400125,0.00189915052428479,0.002267373248759537,0.0019386987785613085,0.0015083180375526602,0.0014911872761250934,0.002182316684259769

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413904

93.069275,95.085487,96.036613,96.088982,97.101105,99.080048,99.116882,104.106895,109.101082,110.104774,111.11676,113.13224,123.116638,124.015755,124.99987,125.132347,127.147942,137.132248,139.147919,142.026337,151.148026,153.163498,155.009995,162.32547,165.163605,166.164627,167.179199,179.179352,184.073044,185.076904,193.19397,207.210266,216.066589,221.226105,239.236588,240.241272,246.184982,249.257156,257.247772,258.65271,263.776733,267.267822,268.270844,282.278778,283.283844,285.27774,306.462402,310.31012,313.273224,314.278107,323.292847,336.362305,338.290741,340.004181,341.304382,364.357422,421.27121,428.71698,446.305176,449.959595,577.917236,577.993408,578.04364,578.227234,578.256042,578.304138,578.349304,578.421875,578.468567,578.518677,578.557373,578.632263,578.716858,578.798828,578.886597,578.970459,579.056458,579.106628,579.143738,579.186584,579.234619,579.268433,579.318481,579.351257,579.388184,579.534058,579.700317,579.729187,579.771667,579.812988,579.857483,579.900757,579.940308,579.99231,580.023987,580.074646,580.108765,580.156799,580.203857,580.235779,580.284058,580.322571,580.365173,580.411438,580.53833,580.696716,580.774231,581.029419,581.205078,719.432739,719.579041,720.440552,720.584229,721.364685,721.593872

0.001787104882637236,0.12671810982055173,0.0007678464390256842,0.001087266865253784,0.062174417969069466,0.0021030251670131274,0.0031054780511412306,0.0019682864309416917,0.09301253616132094,0.0009136401888423575,0.032021489398601,0.0016454926833353914,0.06467150893866051,0.0018351669709514517,0.0041577404162539385,0.01327122673204115,0.0012920582451319662,0.032355147508673174,0.0042847617460588,0.0010641775405389954,0.014874328993294982,0.0014359215365225676,0.0054320743703437655,0.0007160325254657421,0.008554228235632738,0.0006883844807172697,0.0010058347201036988,0.003921386811705396,0.2555634053662968,0.0034435867798879674,0.0033375611970259365,0.0011322985559749888,0.001020703868207261,0.01316237704036136,0.07625582963732014,0.0021419276896047874,0.000809259903772289,0.012747332757083008,0.0018146483243905807,0.0007342302426518077,0.0009731687635045602,0.05236960096128543,0.0013760089141373274,0.05660841018222259,0.0018677272731345896,0.001022770143446664,0.0008593823717223223,0.016144067182926262,0.039638062851191744,0.0014581329668653673,0.0010997324193618436,0.002860441170702181,0.0008055423242602283,0.01108551185169374,0.033875268358032465,0.007816650050990925,0.002650180330030259,0.0008243590262958568,0.0012190695983864991,0.0008314335861940793,0.0010414293885157241,0.0008742304608216388,0.0011158881930991784,0.0009244637141215322,0.00109650331851726,0.0009339884249315068,0.0009068017321919921,0.0014286340963960578,0.0014648894012176052,0.001256433009047656,0.0013066400112358657,0.00198633042274945,0.0018895102552067286,0.002181364609280952,0.002478762046550106,0.0028207949303353025,0.0030486818172830057,0.0031244197766770116,0.0036358514626668227,0.003976843569781758,0.004234655905851952,0.005237706658475142,0.005127322400826369,0.006064571140420663,0.0049485621830317045,1.0,0.005231077403991683,0.00519815376134168,0.005069829354033899,0.004753936842462444,0.004123156193887505,0.003498336459339016,0.0033676941010450105,0.0026811220596283476,0.003045399625419366,0.002309450753148901,0.002601001621279038,0.0020057923033960953,0.001749492246995729,0.002128732892919415,0.001670339085262646,0.0017006209890011222,0.0017804361941360226,0.0016122628745739132,0.058186747490345,0.0013128463039539459,0.0014468330408770333,0.001113638729756937,0.001040245909181252,0.007604975523340259,0.010018574491944173,0.0045572696157946836,0.005267935941466444,0.01891997323608168,0.0017334665741655258

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413905

163.043152,166.030563,182.112091,183.982483,184.777466,201.101883,209.244751,212.208252,255.110382,257.266907,259.086273,267.221649,279.124878,282.282471,285.965027,309.463348,313.111176,336.368011,340.093658,341.41861,345.307068,364.509155,381.114258,385.189148,396.100006,418.500916,423.237335,424.770813,447.085846,450.523468,464.273956,467.102905,480.393372,482.221008,493.516968,513.518555,551.518677,579.560425,580.905396,581.973022,611.476257,630.581421,648.607544,650.514648,669.36084,671.565918,675.658813,702.65686,719.567993,720.542236,721.389038,722.398315

0.0002093551409146684,0.00014771930062882206,0.00034115173750219976,0.029580658820026393,0.00020471737241491213,0.0006489107097343414,0.00030386875109986405,0.00033233567319226946,0.00022036630507081496,0.0002443016521030087,0.000503914962370499,0.0004528445350520885,0.0005908577618928536,0.001203349072580908,0.0006765122881185867,0.0001260087906795333,0.000515783884989124,0.0004548477424529172,0.0026153393399203397,0.0003651410813846229,0.0006953670353976988,0.0038391446235900733,0.0003407133520151568,0.00029931931613411805,0.0003384218174608157,0.00039458745518643575,0.0011046900323244257,0.0003481015569444001,0.00029001980492828286,0.001019845777190955,0.0019545696748656067,0.0003902576959610419,0.0006157493328777794,0.001479795865231535,0.00037915600283074563,0.0004238967237515407,0.0006780562862826499,1.0,0.006897425965813566,0.0007957972250322714,0.0018015652253259113,0.0010135909572564958,0.0006942473938581877,0.0008306081568148006,0.000513813422577975,0.0008892008206829672,0.0003548537648196497,0.001693589307932091,0.03299248857324863,0.01691711916814773,0.007680691179441899,0.0004792770964480866

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413906

95.085564,97.101227,99.117195,104.10701,109.101204,111.116821,113.351952,114.030159,123.11673,124.999748,125.132431,127.480652,128.099579,129.704514,137.132385,139.148636,151.148224,155.009674,157.998993,162.956039,165.16362,179.178925,181.707001,184.073196,185.957397,221.226242,223.597061,230.682938,236.221359,239.236862,249.257156,267.268036,282.279022,310.309387,313.273132,340.005188,341.304077,370.094421,396.070526,407.800049,448.341919,578.963501,579.014221,579.096802,579.143005,579.231323,579.267883,579.312805,579.3573,579.389709,579.53479,579.700684,579.733154,579.771118,579.817566,579.859802,579.904053,579.939148,580.009399,580.065491,719.447632,719.577759,720.43811,720.588135,721.364868

0.10100346411154702,0.05186704212388513,0.0020822627684584454,0.002022194461626915,0.07051049315478627,0.026934657398489263,0.0015050082039626698,0.0020035562133538707,0.04934467117522134,0.0032101766772209403,0.010453690623267042,0.0016981168401703872,0.0018602534168009096,0.002099509446906481,0.028380051804127997,0.002989234028383872,0.012713350967098472,0.0025659593916244326,0.001571102513285423,0.0017365420207903185,0.008028839633101692,0.0028052629263174873,0.001724975789820885,0.18984036622042458,0.0018955751878224458,0.008979682676335298,0.001733451174637607,0.002082227523524293,0.0016437732616910625,0.06531953843899062,0.009899695711788932,0.04366362376195986,0.04234838019612809,0.011528131968903966,0.03340093487953598,0.005668768615990462,0.0260105896389861,0.0019815355033773363,0.0015633432172551544,0.0020653349841058227,0.0016912296315544847,0.0030318034262630375,0.0032986925743796972,0.00369802196155081,0.0033254283174014953,0.0040078397005762325,0.005245752649631071,0.005214903641020378,0.005027032588320251,0.005444153421414286,1.0,0.004707801941195466,0.0050789768901266545,0.005655919153574251,0.004244775374742616,0.003445271635868462,0.003211738498807584,0.004081063797963022,0.0023556086740248437,0.0033031202826273144,0.005773900915362761,0.00796360484523694,0.0034111537161054194,0.0041793622155751955,0.010941012747039201

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413908

95.085388,95.952072,96.946701,97.101013,99.079414,99.116554,104.106659,106.856903,109.100975,111.116676,115.711624,123.11657,124.999596,125.13192,129.493088,134.52684,135.967209,137.132111,139.147919,147.782166,147.814743,151.147781,155.010162,155.179016,165.163849,179.178192,180.646301,184.072906,193.194031,207.210358,221.225647,236.664734,239.236374,249.257294,262.229248,267.267548,268.358337,282.278473,310.309845,311.703949,313.27298,331.092621,340.005249,341.304016,342.213287,364.356293,373.868866,419.294373,446.307007,456.547241,506.745667,538.212585,578.795105,578.843872,578.891418,578.967834,579.055664,579.182373,579.229919,579.307007,579.360718,579.38562,579.533691,579.700012,579.729004,579.775452,579.850037,579.902771,579.939636,579.984924,580.023254,580.069397,580.116821,580.149963,580.226318,580.278809,580.361084,662.445496,719.434326,719.577881,720.438354,720.58252,721.366089,729.410706

0.12534290178097643,0.0012969699329519631,0.0010878891935932088,0.055805362699543754,0.0017497944070293005,0.0026219334982025984,0.0032153619973267367,0.0014070542696608826,0.09140240950202118,0.03178787364295607,0.0016602138190323732,0.06363581552765434,0.0055785384298287525,0.013595740849453393,0.001403551802192534,0.0014112201138381,0.0011424410578584163,0.030872925915468478,0.0030912629675385384,0.0013432162214039947,0.0011395074638410761,0.013648910475607191,0.003281819362153941,0.0014542325165948905,0.009329563849384319,0.0050114846007246906,0.0013335974093731011,0.32144206598229685,0.0020574828149416244,0.0016752984947535857,0.00887857764829878,0.0013026097223632562,0.07791507200780269,0.012981527271708645,0.0013862615716991901,0.05128263231936295,0.0012785178598997478,0.049961867087445114,0.014252644316896594,0.0012581818181818182,0.030864408332508354,0.0013200051822724265,0.006262520352992969,0.035140628627471325,0.0014472268075005435,0.004904799992614944,0.0013045843133122966,0.0012786315592114414,0.0018837139933133406,0.0014663239117625806,0.001633830760606708,0.0013592779299177234,0.0019470038411843592,0.002277261827311276,0.001860234677997211,0.003037783107892811,0.00304483716109514,0.004076819291804911,0.004059546311784991,0.006604472764579995,0.005041982215383264,0.005187378311935238,1.0,0.00508599014922589,0.00555814410218881,0.004338836661330539,0.004657954488315854,0.003281945570223452,0.0030510406951630106,0.002696470135245214,0.0027847132385732964,0.0023142596974227744,0.002084794419443835,0.0026630233822985926,0.002109488887240691,0.0020162093688991713,0.0018492626944187755,0.001398601502031368,0.008924845541861015,0.02331321290131177,0.004082249717410175,0.011507556184841599,0.010171290187838276,0.0013808956507428507

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413909

166.076477,171.315063,183.967438,184.568207,185.376862,282.516449,295.541321,303.491913,340.100952,364.485565,388.268066,397.58432,408.461761,422.431213,436.14859,446.846466,464.277313,480.390991,482.27832,496.515076,551.601562,579.560425,580.473938,581.229919,581.905396,584.751221,621.092407,675.865479,696.797729,701.63916,702.681519,703.731812,719.684937,720.610107,721.483643,723.139771

0.001716237351655239,0.000640702456945325,0.10867013756279056,0.0029470253557029665,0.001209772979637863,0.0022132401555034122,0.0033471192807539006,0.000781017468440128,0.0023135524165145,0.0046746049612655565,0.001287225660656595,0.001239757522208039,0.0016712174343935275,0.0021468820472405224,0.0041713885551350385,0.0018810578482429986,0.0017688781167915976,0.0011531929815472382,0.004152585402293044,0.002444800981663006,0.002632012891618186,1.0,0.03478512671604758,0.0034151775111422866,0.0013967333295707822,0.004027757327061267,0.002198013670157405,0.002251239796114793,0.0031136669603174347,0.001862697104580832,0.008528820739220974,0.0013615762474784385,0.026681279022464408,0.02350884146090339,0.014070420256791194,0.0016468716803264864

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413910

95.085442,97.101074,97.410515,99.080414,99.117332,99.92276,104.106979,104.716911,109.101051,111.116737,123.116661,124.999832,125.132263,127.924782,137.132187,139.147873,145.466812,151.148117,155.010681,157.423431,161.885803,165.163406,179.179672,182.822861,184.072983,185.076523,186.796936,193.194382,195.377487,198.983109,221.226074,227.522598,239.236496,249.256973,267.26767,282.278778,310.310272,313.273254,341.304077,368.57193,404.038452,435.693054,446.684601,476.959259,509.660797,528.879089,554.233093,579.017761,579.058044,579.102783,579.183105,579.227783,579.276794,579.312683,579.354004,579.386963,579.533997,579.689758,579.766602,579.818909,579.857971,579.897034,579.974548,580.028931,580.068665,689.100403,719.441956,720.438354,720.588928

0.15076340851420642,0.07807353457942254,0.0019694928366838682,0.003888424931365412,0.003364436006699251,0.0018351573761010585,0.00437068129973461,0.0023286130202620197,0.11096033194146757,0.03688612108640058,0.07723622249807495,0.010451567066402897,0.012054989809378741,0.0020432101175549802,0.04377323299331317,0.00469581830434461,0.0024754585233948494,0.016902625935138645,0.003830227267698518,0.0018910173906794873,0.0019115475333050002,0.01145086652820371,0.005223763315411935,0.0024221547279999283,0.4851426388646425,0.0041809060733818066,0.0018538668269001382,0.004839328069790716,0.0020887459428422968,0.0026920611383874594,0.013588312166905016,0.002025247420362227,0.07874494854097883,0.013816769441068518,0.05657980604397651,0.0631949364526543,0.015049925211661768,0.04253269742005459,0.03518415801633067,0.001923024675482526,0.002056770739405419,0.0019468843222917038,0.001966759991674113,0.0022212052787425078,0.0021529078913320805,0.002189673118377933,0.0020774966690066295,0.0022113368261351134,0.002827460332522376,0.0025468429213183924,0.003851083343036421,0.003984237172160936,0.004027383652633584,0.005237716191029658,0.005052280690129215,0.0047493288826443445,1.0,0.005152816748638888,0.006533212995395803,0.0038058536132109955,0.0035409294954537895,0.003930272213094419,0.0037706086513769233,0.002613501684970578,0.002301343494971092,0.002160675865154525,0.005756803535414101,0.00298042385173977,0.0023298265101960192

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413912

94.121483,95.085434,97.101067,97.582558,98.984497,99.079903,99.116852,102.783051,104.106941,109.101013,111.116722,113.131966,123.116592,124.015137,124.999313,125.132263,132.504974,137.132217,139.148453,151.148087,153.163635,155.010101,165.163345,179.179001,184.055786,184.072952,185.076157,190.765076,193.195023,221.226288,237.596527,239.236542,249.256943,252.175293,257.246582,267.26767,282.278839,310.309967,313.272919,340.003479,341.30423,342.111877,346.468536,421.26944,478.872314,482.366272,518.935425,563.320923,570.637146,572.906799,578.642944,578.674866,578.757202,578.803528,578.882385,578.934326,578.973999,579.019714,579.056458,579.139954,579.225281,579.274719,579.311218,579.387756,579.533936,579.721863,579.781067,579.812012,579.854858,579.897888,579.976379,580.022156,580.101318,580.190063,580.276489,580.354553,580.526733,580.573303,597.116394,599.621155,619.396667,719.43335,719.578247,720.440735,720.583923,721.364258,727.287842

0.0010871738899603655,0.14636469109483474,0.07168632186896592,0.001138976341468273,0.0015049191958536338,0.004330576849804202,0.0026981082246033804,0.0011963511632780877,0.004893678235402106,0.11558036390440822,0.04137021297120742,0.0022221643211135134,0.07088754049559293,0.0015677980781505234,0.008305107951619243,0.012599265070216028,0.0010830207573621783,0.03860262468702448,0.003316211640047362,0.013367420190295848,0.0018940154085003275,0.005683958439450968,0.012502526204373003,0.0034144402500007245,0.0021144043702151206,0.48259228131038745,0.004008453930630232,0.0012504678589000265,0.002200099873851215,0.013166903626873422,0.0012210758088826738,0.08242707634250633,0.012667924639918584,0.0009696364661170012,0.0021249322815105197,0.05128705263824346,0.06051332497279277,0.016626869725965634,0.04118192557642532,0.003351184008796842,0.03497125588545477,0.0011080314447051878,0.0013179868348513304,0.0034154656812927496,0.001251947553752578,0.0018765765286573959,0.0013382211680260851,0.0021204343797662922,0.0012269719400549652,0.0013153290126587391,0.0015084675594498008,0.0014537209746740113,0.0019499913604588603,0.0019383587430534702,0.0022501502890368017,0.002499207071888348,0.0025293123917684295,0.0025817587020357095,0.0030422011615339442,0.003766517253411109,0.004545196627790196,0.004502580484729675,0.005391992355321914,0.005939740791321068,1.0,0.005790883296428883,0.0044935649597972645,0.004816323885064607,0.00399681328100093,0.003583843233972656,0.003137131556003037,0.003328467844123906,0.0021180620486678627,0.0027228451100722727,0.0019051144815419609,0.0019694071190410035,0.0012322490453270567,0.0014777857748798295,0.0013450141311141222,0.0013268715757862042,0.002333289342891924,0.011070408656038023,0.01941602600372639,0.00459115573815182,0.009261109167001857,0.005299896228619867,0.001573436477881785

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413914

90.0448,95.085388,97.101028,99.080299,99.116768,101.78054,109.100967,111.116646,112.521729,123.116531,124.015869,124.999245,125.132179,137.132126,138.839462,139.14801,151.147781,153.164398,155.010284,156.940948,164.388489,165.163391,171.173584,179.179108,184.072876,192.791306,193.194641,214.229248,216.841614,221.225861,228.538132,239.236435,243.526917,249.257278,257.819519,267.267609,277.499481,282.278595,287.237823,310.309784,313.273071,333.78772,334.847534,341.304138,352.649384,364.356415,384.496979,388.887634,423.55722,472.139618,578.592163,578.675293,578.739502,578.801453,578.929077,578.974304,579.055969,579.105286,579.181702,579.269775,579.315857,579.350403,579.388672,579.53363,579.697266,579.72876,579.807556,579.861206,579.936096,579.985474,580.022095,580.099915,580.150208,580.23175,580.291992,580.361572,580.437927,580.496216,580.5755,580.656494,658.05188,719.426025,719.574402,720.444214,720.583374,721.365906

0.0010582405473419203,0.08919057025255718,0.049601403806824255,0.0013178858232607022,0.002098212532780002,0.0009003995736894209,0.06916905472194709,0.02477993469970562,0.0012412984462101262,0.04608300551803744,0.0019442916050192134,0.0013931883462202604,0.011581886805654924,0.024359690833168027,0.0009043396630355165,0.0035871248476816654,0.012109696657795498,0.002024457255530603,0.0031303158446403714,0.0009835271530427689,0.0010631609597655687,0.008430617212493713,0.0012687808937851552,0.002769357452370965,0.09624117883015088,0.0009587998165357798,0.002380739063196613,0.0009703802385757896,0.0010689029392409466,0.008532617398383598,0.0013147537508298864,0.06806148511930481,0.001079862458278275,0.010446416227510559,0.0013666292801758236,0.04024631167856117,0.0013259737265522477,0.04077147392509524,0.0010520761663394933,0.012288743404670035,0.027463931283716596,0.0010861765998221103,0.0009909188756250897,0.025589957671450475,0.0010492543177707116,0.0012785935883849844,0.001070677499592127,0.0011181752787677716,0.0010491455565611956,0.0009783313660959008,0.0017208740239177541,0.0018758806195101113,0.0017716189005464627,0.0022064736747153257,0.0024964867954624676,0.0025070405418375274,0.0029862425746378794,0.0028570320130603386,0.004420685624869314,0.004778462974268478,0.00520060052555292,0.006125776975287024,0.004418893526962022,1.0,0.005202708312531509,0.0055922072609242085,0.005642571875420191,0.00358926361413085,0.003478909944514085,0.0030353073015191075,0.002943398032109504,0.002415267249595888,0.0025512282458397223,0.002104564596793294,0.0014227473773957666,0.002167740389498784,0.002040647183214307,0.0011743319832409889,0.0015782541562540926,0.0013055160619239558,0.0011674432912818695,0.0023982183996233693,0.010454607766395424,0.0016969577793225841,0.005575160461571348,0.004851323114054407

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

RPJZYOHZALDGKI

C39H78NO8P

C39H79NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413916

95.536552,98.984024,99.123314,99.127197,104.106827,124.999512,144.638382,166.062363,167.888214,182.971527,183.806061,183.812851,183.865967,183.873245,183.881134,183.888474,183.896011,183.903244,183.911377,183.918427,183.933929,183.94104,183.948822,183.956238,183.96373,183.971603,183.978806,183.986496,183.993988,184.001526,184.009125,184.016602,184.024231,184.031693,184.039169,184.046814,184.072845,184.09967,184.10704,184.114883,184.122208,184.129837,184.13736,184.14502,184.152405,184.159988,184.167709,184.175125,184.182602,184.190536,184.197662,184.205551,184.212845,184.22847,184.23555,184.243057,184.250763,184.258423,184.26561,184.281769,184.288223,184.311493,184.318787,184.32637,184.334946,184.341248,184.349258,184.356552,185.076584,186.077026,256.579102,264.268402,355.526611,425.886383,427.481934,478.329834,496.342957,506.358429,519.424377,524.371094,532.368958,560.401306,578.414124,633.58667,718.497803,804.159241,816.64093

0.00036675766338851036,0.0063883436037038,0.0003083018836963041,0.00029627328081351063,0.007257608607904802,0.02991238719288575,0.00042198545515673955,0.0006308865010148951,0.0003639004072973735,0.0004896126828822788,0.0007887843914020084,0.0015843719872296281,0.0015031279733810322,0.0018922345748550902,0.001392795206122253,0.0018576465524414484,0.001633222456120961,0.0022829633464001887,0.0018447248089880676,0.0025533143793447575,0.002137923604507406,0.002653188781873859,0.0025910208900598707,0.0030036620810163315,0.0031601411519889613,0.002912129324430112,0.0037736767937520386,0.0036820056195458026,0.004222254949531551,0.004613870243816322,0.005009476955759813,0.005659321142921504,0.006182097055544031,0.007687880790457045,0.006974381558997374,0.005766831514973063,1.0,0.007120929049305856,0.007866612555802883,0.006276584756314976,0.00619824727794352,0.005550903648823841,0.005028731247958688,0.004350795132932958,0.004377135434681665,0.003995320511848387,0.0033584553304322673,0.003342365871599611,0.003270483910113843,0.002513579204790925,0.0030055819910462284,0.0022566253090903106,0.002639173920228519,0.0016017931891982302,0.0022493691612158746,0.001955251091274539,0.0020686058466435377,0.0017236862980253337,0.0019273847079298914,0.0010550424106655575,0.0020552309555706178,0.0012025443973752675,0.0013856031155438562,0.0017937822348488403,0.0006427151785845169,0.0017055328487583289,0.0006350585591347887,0.0011119245285486235,0.00223547994555307,0.0005349747297611825,0.0003676838121203371,0.0009112956869674858,0.0004298317255768429,0.00039270032832886584,0.0003322903176784524,0.001034154826997485,0.0007989047996042294,0.0006750524416064903,0.00043625091357430475,0.0010215416361140028,0.00044835523848162377,0.0009110623164665053,0.0012865176033437595,0.0012327110270430228,0.00047693723680459756,0.0004151366008592254,0.002150385813678826

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

BBIXKOPOMMUIOM

C46H90NO8P

C46H91NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413918

98.983765,104.106644,106.077393,111.546539,124.99958,139.533783,155.775391,166.062851,183.625153,183.664581,183.670456,183.754181,183.761414,183.768463,183.777588,183.783249,183.798447,183.806519,183.814087,183.822037,183.828781,183.836533,183.845154,183.851456,183.859085,183.867065,183.874268,183.882217,183.889404,183.896698,183.904755,183.912003,183.919891,183.926788,183.935242,183.942398,183.949478,183.957138,183.965302,183.972687,183.979675,183.987534,183.995056,184.002716,184.010284,184.017609,184.025284,184.032867,184.040207,184.047043,184.072998,184.101135,184.108047,184.115631,184.123337,184.130524,184.138367,184.145706,184.153458,184.160904,184.168488,184.176254,184.183472,184.191147,184.19873,184.207397,184.213364,184.221573,184.229965,184.235947,184.244232,184.252075,184.266068,184.281647,184.289154,184.303818,184.319153,184.327408,184.341385,184.356812,184.365448,184.373154,184.380798,184.387299,184.396255,184.402588,184.411346,184.417709,184.43428,184.440491,185.076447,186.077362,273.619354,278.188416,506.364075,511.066315,524.367371,530.31189,532.367371,562.378296,578.414124,633.580444,658.34198,815.659363,815.770996,816.646301

0.00678217032280438,0.006137670551449649,0.0004584673996209398,0.00047519964661084954,0.02926484670785302,0.0005496458775075407,0.000508806526338028,0.0015316501020010823,0.0007217096439071412,0.0005429461645550735,0.0008187575325462778,0.0006943825175162834,0.0008204438371883381,0.0010257001675379443,0.0007659268889676662,0.0012042160883765024,0.0010803894173150135,0.00100127438122071,0.0009892334931438204,0.0009675947202081166,0.001270661787999241,0.001195092320616256,0.0009758221736273066,0.0013232062750919754,0.0013760542873253428,0.0012192706522943175,0.0013819576087207915,0.00130598304007994,0.0015129796334615486,0.0017480359486357635,0.0015591232454129943,0.0017419396590189636,0.0016963299265346048,0.002200082529242722,0.001783708542676866,0.0020431471251492347,0.0026002091066144283,0.0025803403826768446,0.002278547783750402,0.002603902146587518,0.0032996599170438986,0.003264717079172668,0.003499315330161469,0.0037161135449295057,0.004152154561767292,0.0049274781007064405,0.005280012516857601,0.005662793421670702,0.006161911489056203,0.005432816752009083,1.0,0.005575453767060988,0.006207114536199057,0.00555636089785839,0.004792653007101191,0.004820010577328966,0.004056528548333148,0.003939780865724972,0.0033680902960134575,0.0031736656309439486,0.0029105966100988847,0.002572320561072903,0.00265635681700358,0.002434757915582895,0.0022166832540096775,0.001828496585875065,0.002347072203619669,0.0017973045118115805,0.0015856282194112734,0.002230256370790266,0.0015491594285775342,0.0012577832962221527,0.0019521918342598392,0.001437988953883987,0.0013998221032957244,0.0016178514626737444,0.0011352030912353457,0.0009714926263422344,0.0011164343532449707,0.0014180399220996575,0.0008028392794854,0.0007849441376529729,0.0007584196828884207,0.0010222053847211941,0.0007056425995147932,0.000949763508701978,0.000678444584596653,0.0009349812383741557,0.000586687414122771,0.0007446981037117627,0.01469654597541722,0.0050511321369480335,0.0006800257510973418,0.0004704121952799664,0.0010367531414209874,0.0006107309558643624,0.0015788052032927624,0.0004401744883275948,0.0008952985366026518,0.00043504854515740685,0.0007810369910309649,0.0015128573257579005,0.0004788563002693294,0.0010031480448699265,0.0008885706217677059,0.004649882851117913

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

BBIXKOPOMMUIOM

C46H90NO8P

C46H91NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413920

91.145111,98.984344,101.462135,104.107162,113.530884,116.395981,124.999977,142.012329,145.451218,159.42363,183.489883,183.495804,183.760666,183.767441,183.866089,183.873383,183.880859,183.888458,183.896149,183.903275,183.911224,183.918564,183.925888,183.933823,183.941055,183.948883,183.956116,183.96402,183.971069,183.978973,183.986404,183.994019,184.001587,184.009033,184.016724,184.02417,184.031784,184.039124,184.047165,184.073532,184.099426,184.107162,184.114716,184.122375,184.129684,184.137451,184.144882,184.160095,184.167557,184.175217,184.182617,184.19043,184.197693,184.205414,184.212784,184.220657,184.228333,184.235046,184.243469,184.250641,184.25827,184.265671,184.27356,184.280624,184.37941,184.386383,185.077484,186.078339,191.378525,254.678619,264.269196,270.251923,283.537109,313.67572,389.037201,478.330139,496.345001,506.36142,524.36676,529.331787,532.382446,560.406067,572.082336,578.42041,633.582581,675.535828,795.722107,816.648499

0.0003833384096194139,0.005823078047879684,0.0004091363160256244,0.008314292722969468,0.0003843821577036587,0.00039124336002509334,0.03068067043924249,0.00042629062523858797,0.00043974384876599974,0.0003996481841742723,0.0008449828744735081,0.0003990576663120051,0.0012696521234372609,0.0006033935707346684,0.0017237046366637295,0.0009819769335353739,0.00234616717082764,0.0018011873896948067,0.0016430851296771226,0.0022353351471845403,0.002120426410437806,0.0020239322846935526,0.002303600381665465,0.0027295560824454573,0.002355092915833137,0.002892436123726105,0.002474583744315731,0.0035844028172838643,0.002823408405591391,0.0036748743612801363,0.003805335532761437,0.00420237111407728,0.004605820949853566,0.004984675368849886,0.005786350198147861,0.006028997648853481,0.00704991715452374,0.006569633191807206,0.007312434981287185,1.0,0.006249499904658854,0.007672510590464456,0.007124143268821038,0.006555384320499701,0.005069822462674975,0.00536476533087515,0.004492478463469297,0.003964045869960694,0.0032707836885778295,0.0036828984960169215,0.002978261079487437,0.002886899238286296,0.0028121274852917007,0.0026072997490290055,0.002177880411738357,0.002427604106852791,0.002354160454598621,0.0018912170165329444,0.00213728814215647,0.002158776628142826,0.0017527486028855084,0.0012877208988921248,0.0021314819648776003,0.0015169961107582047,0.0015057577973825753,0.0009316244481026359,0.00230409180912364,0.0009153829876041466,0.0004321874129377371,0.0003955378327584657,0.0010628868155793828,0.00046084117714535446,0.00041387898587108145,0.0004144875035400337,0.00047493689123173616,0.0008553524865610355,0.0008445593205843227,0.0010036743308913213,0.001000914335660259,0.000473247198493497,0.0007745548469595952,0.0008725553528882349,0.00037948272971292723,0.0010068925485346612,0.001544278582391863,0.0004947710558571245,0.0004774342404469864,0.002776394241620416

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

BBIXKOPOMMUIOM

C46H90NO8P

C46H91NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413922

93.069557,95.085289,96.870918,97.100914,100.075493,107.085091,109.100937,111.116371,112.483673,121.100662,121.918053,123.116486,135.116409,137.13179,149.131424,163.1474,166.769974,177.160339,198.219574,211.205246,247.24147,252.267609,264.197266,264.209595,264.267639,264.314148,264.326813,264.339539,264.353302,264.365295,264.431732,264.443207,265.251831,282.278168,292.298218,303.30426,321.315369,338.340118,350.339111,356.350891,380.350616,396.343109,549.010071,572.57312,574.590698,584.571045,590.586487,592.494568,602.5849,620.594788

0.014167994977283572,0.026599424103970686,0.001481496712223008,0.014184379885543429,0.0015650018373823966,0.009614153602168359,0.015716214290900962,0.00802308015562239,0.0014465408440595413,0.03026618110165444,0.00126628532961122,0.007923233958472135,0.02079486987471277,0.004126059095099681,0.007601874566861732,0.002016310677511037,0.0013805555465277973,0.0014595223287586084,0.003098093896388178,0.009478508476856698,0.014669178200637975,0.28161288629035913,0.006012375158735453,0.00800554468257398,1.0,0.0055379425885330475,0.006698144718096631,0.006609604869262214,0.005000076208017279,0.0063931351675490695,0.0025741830075594156,0.004193972655740857,0.006947436172580991,0.22812199326024182,0.002394070869165169,0.0025102076493243933,0.002803336010979067,0.013772904390320067,0.002696346272888729,0.024801457460489576,0.009891885602519721,0.0032399610446295626,0.0015740936141160605,0.003324634601811655,0.0032677106738065,0.002297487715878795,0.015708527872951183,0.0017552134957890431,0.07112184928146179,0.04763628209257275

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413924

91.054108,93.069817,95.085464,96.080109,97.06459,97.101051,100.075531,107.085487,109.100983,111.080231,111.116753,114.091637,121.101059,123.116684,125.132401,126.683723,131.774445,132.878571,135.116623,136.884949,136.889771,136.966919,137.131638,139.112442,145.882843,149.132477,150.874817,151.147964,153.369522,163.147614,165.164169,175.295334,177.163681,191.178726,198.22171,211.205032,239.119812,243.050156,247.241776,252.268127,252.309921,252.32106,255.310699,264.237396,264.268127,264.327118,264.339539,264.418121,264.430328,264.574799,264.58609,265.252502,276.269226,276.845673,282.278717,290.246643,292.261047,292.29892,294.279144,303.305573,321.315277,338.340759,350.339935,356.350861,362.340637,380.352203,380.52301,398.364685,436.824799,572.575806,584.581299,590.588013,602.58551,619.527344,620.597534

0.001963952110573038,0.015100507509294678,0.02630645330733545,0.001897154627855991,0.00194186133015932,0.013571512396123822,0.0011388066324576796,0.012494427459318164,0.01621445669747211,0.0023057577093466572,0.006879336451344085,0.001633724265467104,0.0334972232572209,0.00892880933557502,0.0021292209571654105,0.0009197526162539622,0.0009247163253064079,0.0008151128190626958,0.025835216708057412,0.0007508900575842082,0.0008161043669897867,0.0008063585396856196,0.0036939085238904853,0.0011958044684651427,0.0008016952418588014,0.008134598076740295,0.000707265943127263,0.002873881006834304,0.0008516098345513926,0.002340608241628875,0.002466563145239118,0.0008091224144587988,0.0011825167797172337,0.0009102208329340182,0.0049448376871506486,0.005172775871187427,0.0008454538196420479,0.0008685891060506209,0.00880944613859254,0.29573536800848405,0.0015375272589309554,0.0017733440038239605,0.0009084512036838749,0.0028741459833230205,1.0,0.006392267052533315,0.007310431245417736,0.0035874059877953504,0.0037609447959075417,0.0013570895968632165,0.0020612969362961138,0.007339075792586423,0.0013387571292057749,0.0010274845272758893,0.23031082792769023,0.002012892293749268,0.001915883698908854,0.002115236837486803,0.002063160445040229,0.0014057894510589445,0.002760270289648449,0.011718006675366807,0.003591388740534258,0.010817426138521552,0.003166525929457866,0.010209665186538364,0.0008870419306583752,0.001053221349973241,0.0009416052825554279,0.005363233966361294,0.0036668692482344353,0.004510461868653106,0.043059792939791945,0.0010657755324103926,0.021018897814355706

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413926

93.069878,95.085373,97.101158,107.085411,109.100998,111.116394,114.893608,121.100967,122.924042,123.1166,135.116714,149.131699,156.343658,160.207062,163.147705,176.567749,190.661362,198.220779,211.204361,241.611954,247.241547,252.268097,263.190247,264.171509,264.198303,264.221161,264.267975,264.312286,264.325684,264.34198,274.568298,282.278503,290.759338,295.947052,338.341766,356.351044,380.352142,433.155945,572.568665,602.585449,620.595886,621.308838

0.012602726300055118,0.028758495477551934,0.014019541490039004,0.012246388970516298,0.023411971636112416,0.0066134891923565935,0.0027741629218591226,0.03427016581009717,0.00261185606236288,0.008111872660056772,0.024373224466424776,0.009723670261859609,0.0027604496908442086,0.002744293836559648,0.0038040320490171195,0.002995248106025268,0.002932787147538161,0.003535353352171643,0.010958369408370264,0.003686656651817751,0.010379478200743008,0.28115819075856624,0.003072725551932753,0.00415882644499025,0.004856330943744811,0.0057329481417333515,1.0,0.0037817970230890224,0.006558996447455363,0.0034642281092021714,0.003017052952709051,0.23222118497488342,0.00301578614007066,0.0031696348359259454,0.013506725226739423,0.0175780573203102,0.00997654287739234,0.006324095259334772,0.004705691321237602,0.04974297053466068,0.03534160268660633,0.02322655609224631

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413928

90.080841,91.138039,93.069847,94.064774,95.085388,97.101051,107.085556,109.100868,111.116829,121.100967,123.116272,135.116501,137.132599,149.131927,151.146744,151.632172,153.87471,165.157928,167.040176,177.163345,198.220016,211.205078,231.296051,247.241531,252.267944,257.667664,264.097778,264.108948,264.130737,264.147339,264.171387,264.188263,264.209229,264.267822,264.322662,264.337219,264.362793,264.389771,264.414948,264.425507,265.252106,282.27832,292.260193,292.298157,302.326416,338.339325,350.341675,354.69342,356.351227,380.352234,383.686005,413.569519,425.597534,467.783295,490.287079,565.55304,566.125671,572.568054,574.598083,590.585266,602.584717,608.910706,620.598328

0.002066528341609613,0.0018316697917049466,0.013599586571122169,0.0021656811808015526,0.027665911991365803,0.012289184435241726,0.010116699518256634,0.019796219015473564,0.008956423635820129,0.029506982659867283,0.010569027149284526,0.027115350535037414,0.00423254746753031,0.008139756211688495,0.00538674030835627,0.0020632445181800385,0.002184447125214518,0.0021416052021486377,0.0019954751278400016,0.002310481049075309,0.0028340286605033137,0.009836279773617701,0.0018250171248302882,0.013966158416211235,0.3064671424805669,0.002005504644865259,0.0019358218554900487,0.0020805579621005783,0.0038262250886427385,0.003146217049122856,0.003925357815976194,0.0040720686295740985,0.005670602630992315,1.0,0.004975827930835685,0.005323655577391805,0.004104458231203499,0.003174292638356295,0.002629078493388617,0.002118605682058753,0.005855155323373447,0.24764579938016004,0.0024884592263494008,0.008516256861823139,0.0018607651068095084,0.012248755061930003,0.003344134912586126,0.0020798881177419666,0.02148449255268736,0.006504661487409956,0.0020531854066139534,0.0019853185723373045,0.002184869926947016,0.002171178744460378,0.0025057613874851863,0.0028934965249836618,0.0019965666274373143,0.0053837967203547105,0.003297603856424756,0.014660403061212105,0.06714527857698155,0.002576129225655444,0.03805752143008359

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413930

91.054237,93.069786,95.085403,97.101036,100.076134,104.176941,107.08532,109.101051,111.081047,111.116318,114.330421,121.100868,123.11692,128.42366,135.116486,137.132294,149.132095,198.22142,211.206268,252.267944,264.10437,264.120361,264.144135,264.168213,264.182709,264.21051,264.267761,264.313202,264.338165,264.354126,265.248657,282.278229,299.956726,338.341522,350.340485,353.643402,356.354065,380.35022,412.430115,423.516815,572.573792,584.573303,602.584045,620.600159

0.004965534761168453,0.02493586380110495,0.03405319461408921,0.014596275608564467,0.0039890738916861755,0.0022381621110396334,0.017814965364206056,0.02184270586462309,0.0032327929824189543,0.006936698738094456,0.0023651933813282067,0.03682636372850855,0.009549557569790573,0.002385106890510856,0.029369405573071716,0.0026853978941745894,0.010373062188087196,0.005274217241909211,0.004734279465817695,0.26819983721280705,0.002756328208628267,0.0026905936070659078,0.004645335633808937,0.003121727659439174,0.005376873500195533,0.005118134159413209,1.0,0.005641728631065111,0.006551342524637733,0.00399702281604073,0.0037958290438577617,0.19612895610705267,0.00248816512045173,0.004624116008406345,0.004962442291163481,0.002412377313890923,0.0040278584859888954,0.007225504146473033,0.002423393659632058,0.002536554784844416,0.005614260735311417,0.003139285791348417,0.019790067583536197,0.005959747300950748

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413932

91.241295,93.069778,95.085419,97.064461,97.101097,101.010178,102.366264,102.635742,102.640038,107.085358,109.101021,111.116737,121.100967,123.116653,126.675224,126.774368,134.46077,135.116501,137.132812,142.354309,146.998108,149.132385,151.148148,155.461502,165.163116,176.579391,184.071472,198.220779,202.515976,211.204849,247.24147,252.268021,264.026031,264.040039,264.063843,264.079712,264.107269,264.131531,264.159424,264.177612,264.196899,264.217285,264.267883,264.313416,264.325195,264.349121,264.363678,264.37973,264.398499,264.415192,264.442902,264.456451,265.25177,276.267639,277.881714,282.278412,290.245178,338.341217,350.341095,356.351379,368.340179,380.350739,396.345886,536.149475,556.575073,564.628967,572.57373,574.593567,584.577515,590.585571,600.271606,602.585144,620.595764

0.00161526365046193,0.013047761171083028,0.02678253975488899,0.002394074870012242,0.01220788895214425,0.0015961847873166663,0.0014513815500098,0.0013271458140688575,0.0012929474382131377,0.012085508457966007,0.02082309456214065,0.009135265539474212,0.03807399904242041,0.009426691020282846,0.0014767648741866935,0.0012616881337666878,0.001620621481420472,0.02850847966309933,0.0050760640844198625,0.0014639171063115476,0.0015973088751295905,0.007377994145308931,0.0022330621116369654,0.0014158554012587315,0.003980879414462509,0.0012365857864899217,0.0024382166010429992,0.005268346651050939,0.0013798729868528404,0.007118108353720366,0.016966568047433676,0.27663817560352305,0.0016299862002745222,0.001542828885596392,0.0017115905461290988,0.0019493856359642837,0.00248275254029613,0.0026680085283111994,0.0037791056391702944,0.0035227089787718425,0.0068544639425830375,0.0044966472634614,1.0,0.0038769871694190796,0.006751230077854378,0.004550311630911297,0.0048922144419132245,0.0029847924832918852,0.002642074944832575,0.0028193884568115213,0.002608673236575759,0.002125956499015821,0.004931447347654387,0.0023483331294881517,0.0017433128999405762,0.23979079571283515,0.0026245403025657844,0.013368762180252439,0.0036548415197739377,0.020886045088703828,0.0018967927085574048,0.01041461530089892,0.0018607034410615395,0.001461053563212773,0.0023720220707914995,0.0014359588685275006,0.004857220582711616,0.00286733810835895,0.0023753501435715705,0.013279113229411511,0.0017697830916304708,0.06869935234433523,0.04972799188400515

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413934

93.070145,95.085907,97.10144,98.09584,107.085739,109.101364,110.973732,111.116409,121.101326,123.116516,125.089577,135.116791,149.132553,152.157288,159.575256,192.908218,211.205551,219.852432,244.18602,247.242569,252.268753,256.123657,264.137787,264.160461,264.17749,264.187134,264.211609,264.268738,265.253479,272.668427,282.279236,302.423004,338.342438,350.338196,354.92627,356.353088,387.267029,433.15564,540.33075,572.581116,590.130066,590.581909,602.589478,618.083069,618.54126,620.596558,621.309753

0.01318587910173053,0.018913279493983335,0.011491097088879841,0.003062206197121181,0.009550785028126405,0.017575513823394322,0.0032784072461660672,0.005251234885858392,0.034483547753664974,0.009928307728482483,0.0035882162656129275,0.023929432341630117,0.009887268587112325,0.0032632498966231947,0.0030696527807659796,0.0026883234089863112,0.009281718189441897,0.0032878940872250067,0.0034254775166118506,0.01045690196948424,0.2680171567548478,0.0031133348189889237,0.002668598011998956,0.0044754005499662635,0.0031035741345252915,0.003914544771934363,0.0069938735591040324,1.0,0.004402629155814131,0.0032616934078406614,0.2354858559846619,0.0034019753977702987,0.011998555675299564,0.004041707312414324,0.0029354703317324127,0.017282303535450422,0.0030929702170370394,0.016752632802584225,0.0031546666700602607,0.005057971759870133,0.0029539423295794963,0.00814283920012919,0.04408291686505668,0.0037588997504126413,0.0029878207569108313,0.033849285611965194,0.03425077061112713

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413936

93.069786,95.085503,96.080711,97.100922,103.716278,107.085442,109.101158,109.985474,111.116325,114.587448,115.947845,121.10112,121.963783,123.11631,135.116531,146.143555,149.132309,156.838089,176.828064,179.11998,252.268036,264.267944,269.913391,272.760071,282.278381,368.756409,380.347748,422.343506,495.923859,510.783142,602.584839

0.028038987802316125,0.038657168865144316,0.007641921650149691,0.018115426625633677,0.004316679792601705,0.019250667335442125,0.019890898817860977,0.0038406383952668366,0.007834031692085585,0.003493619563683194,0.004087647609667604,0.03144202190897721,0.004203075404516689,0.006759115634090614,0.030719982158150066,0.0043474557093734,0.007651206938359618,0.003878817111372812,0.0039613968711718125,0.003462923436750762,0.239848830097023,1.0,0.003973382215162618,0.004966602502515536,0.17682725160112045,0.00467929740649184,0.010144689494531322,0.0048507697638400455,0.003946285163499676,0.004364137113123833,0.018517326602035485

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413938

93.069931,95.085449,97.101105,106.414169,107.085281,109.100922,111.116501,121.101021,123.116524,126.261597,128.447052,135.11644,137.132843,144.747223,149.132156,151.147385,163.14711,180.230606,186.891922,198.220306,211.204681,247.240494,247.292755,249.248932,252.26796,255.613342,259.084198,264.15625,264.175812,264.18573,264.208527,264.218414,264.267883,264.32428,264.336365,264.362976,264.388885,264.405609,265.251556,282.27832,313.262268,338.341644,348.663483,350.346344,356.352386,367.566467,380.35022,414.714935,433.15329,545.851013,572.568909,578.747253,590.585754,602.585022,620.597107,621.3078

0.013690295151782814,0.027768181709973715,0.01361837633492623,0.0021299308769973926,0.012725075392806987,0.01956210366983757,0.006202054844385191,0.03793341854982999,0.008888491787677739,0.0022316839807749672,0.0020057121862382334,0.022342193162729635,0.003176055855590604,0.002713883562729196,0.009526474913449308,0.0026987608452883286,0.00302724516438153,0.002416587615104564,0.0022335937294237066,0.004781342074911906,0.005670148958166201,0.010596699759880066,0.0026134018368209997,0.0023518038248265816,0.2772839926844747,0.002508571845593234,0.002231879755436056,0.0035196448037881057,0.0038647825313989207,0.00496807642110475,0.004935429083789451,0.00495232889031509,1.0,0.00501834248281254,0.004636916898433404,0.0036927761280536723,0.00406621982282402,0.0032485844039484425,0.006639697369708057,0.22864027056636876,0.002841249779315722,0.012364449228831814,0.002185900565977294,0.0030994415945066293,0.0170042026508579,0.0024616577015642805,0.008338324917612121,0.002428050426178421,0.00692756647098684,0.002516120391447871,0.0030859792212174493,0.002548565919951568,0.009484645179930053,0.061225413899387814,0.03130365136636788,0.013995670982209071

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413940

91.263237,93.069893,95.085388,96.088852,97.101044,107.085541,109.101128,110.188599,111.116516,121.101044,123.116577,126.259033,127.10981,135.116608,137.132416,149.132004,151.148346,152.425156,163.147552,177.162735,198.2202,211.205032,214.252075,214.288116,247.241806,252.268021,264.144531,264.174652,264.196014,264.210907,264.235138,264.267975,264.313599,264.328247,264.351288,264.367004,265.252014,265.271637,280.299622,282.278473,290.256531,292.298737,313.276611,319.586639,321.3125,338.342224,339.701233,356.351318,362.356934,364.239624,364.859253,374.901031,377.590027,378.611084,380.351898,392.724274,396.338348,431.372864,451.494537,460.529968,572.574036,590.586487,602.585999,620.59845

0.002764165573179628,0.016084128088791137,0.03496458699910395,0.0028634970063138587,0.01954889271029558,0.013559826418007435,0.02468015469634213,0.0028301626988341986,0.009956153022686553,0.03843886512520882,0.013821788127571028,0.002530359527875228,0.0028010746902466144,0.02772145774905967,0.003611891973090147,0.012286230821288074,0.003508782029171349,0.0022574672699338496,0.004990217449631967,0.003755305491197987,0.004449328709939962,0.009997071187387178,0.0025585382682446665,0.0032471359364219746,0.012052684030453936,0.27570529879520156,0.0029135537503832023,0.0034146869427245656,0.004360765993407336,0.005812839389662607,0.0030635119664312507,1.0,0.006806021138902007,0.0040483726145426925,0.006403661151527252,0.002853267196914098,0.006332616883062454,0.0020709134078361986,0.004232503282797088,0.23390638631735725,0.002244596877244509,0.018837977704104565,0.0028349774228259962,0.002785837998110061,0.0039746874989608355,0.014273443466099473,0.002427465091433398,0.025751683309188082,0.0027106209726632134,0.0025533955847097133,0.00264140651486235,0.00292193120506087,0.0026476895399137313,0.002428999147095225,0.006876090111924686,0.002631048419350482,0.0028144316555600334,0.002384116754652673,0.0022403515237342363,0.0023528884192515463,0.005200304142517406,0.017374890293251115,0.06526336526845888,0.04250891070552827

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413942

93.069786,95.085548,97.101219,107.085632,108.911804,109.101082,111.116547,121.101097,123.116753,131.704025,135.116745,137.132462,149.132339,151.147476,152.983688,163.14682,165.163483,198.217819,208.344086,211.205627,233.091751,247.241623,252.268265,264.052917,264.068817,264.145386,264.168579,264.184753,264.208374,264.222412,264.268158,264.316376,264.338928,264.363861,264.389954,264.415619,264.429047,265.251495,269.357422,282.278595,292.29834,302.208405,314.276093,321.312958,325.348083,333.942383,338.341034,356.352417,376.661346,377.858795,380.351105,446.891693,556.586609,572.574646,574.591309,590.587158,602.585876,604.772766,620.597168

0.012658376473455388,0.027893492862368384,0.012371952132872116,0.01317534262007677,0.0021791717536139153,0.02358806177017437,0.006588815797314086,0.03650517002643468,0.009541275485628647,0.0018062137898256856,0.03306678801873944,0.003880957075647951,0.010644253690489948,0.0025585326008903887,0.0020159651017345984,0.0038822227572007395,0.003792231431586624,0.0036998239615319067,0.002081343768831726,0.008488618257146106,0.0019518229590017504,0.01501821852117809,0.2870914574937735,0.002451419430002073,0.0026592058230922766,0.003450201368451865,0.003604282669259024,0.005638153332257181,0.004670390627943774,0.004731978394342018,1.0,0.005084549137961657,0.00657637536426926,0.004594767942956142,0.0032756207856839987,0.0030591293574157605,0.0024514519253606044,0.010075693504552438,0.001822798517787761,0.23717142698980606,0.007379002858038295,0.0018350963275183647,0.001963879611847806,0.003660311691913526,0.0023274939024889242,0.0022086716743413702,0.01303003819129099,0.02561738609308656,0.00215241010210106,0.0021509032636637224,0.006265896383454295,0.0019041269612535764,0.0024119157676824312,0.004617039105420794,0.003033400486786485,0.01493929164068089,0.06376855182036832,0.0019647111068344806,0.05029857039739241

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413944

91.054558,93.069717,95.08522,97.063995,97.101158,107.085358,109.101021,111.116524,121.100883,123.116508,135.116608,149.132446,151.146759,186.880798,198.221481,204.106461,211.204193,230.568802,247.240829,252.267822,264.117432,264.133057,264.169464,264.196411,264.22049,264.26767,264.315521,264.337402,264.360992,264.375366,264.385742,265.251465,282.278168,295.605438,303.305054,321.310059,338.341003,356.351654,380.353455,433.152832,444.770599,478.229279,572.566711,590.585938,602.5849,610.602539,620.596069,621.30835

0.0034457811427552076,0.012646356853745213,0.020475835036288602,0.002967600283013006,0.010593934744256059,0.007827880186884791,0.016605138602212393,0.0068271007802901094,0.03411056160122826,0.006751240377056705,0.024139337369542428,0.009897347812161141,0.0035137287075806193,0.0026721159311067773,0.004026559806941836,0.002410354812523927,0.008294874512594278,0.0026607242615505184,0.014269426329429544,0.2696491099689929,0.0025627464159369193,0.003231014980046781,0.004484076573858979,0.0052073960197788404,0.005799505088020652,1.0,0.004328375260814925,0.005857412153123666,0.0034821153113644148,0.0032525622402122998,0.0029106863835066756,0.007050304553262367,0.24573997278104373,0.0029712360877661016,0.004126517332542287,0.0032346384508846163,0.01490212957746479,0.02678123001942207,0.00848173472060483,0.003254973709855547,0.003172790626096124,0.002418155696438486,0.0032064753055117386,0.01618575208621875,0.06649174612049699,0.002422958476860881,0.041171677854232265,0.01721382263743268

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413946

93.069557,95.085312,96.088394,97.100967,107.085144,109.100952,111.116585,121.100899,123.116562,124.120354,134.461548,135.116562,137.131882,149.132111,163.145859,179.180969,184.074081,208.857681,247.243027,252.267731,264.2677,264.978882,265.25061,282.278229,289.254395,313.270325,314.275696,336.470428,350.341797,356.347717,391.588501,406.889923,433.152466,538.724854,544.12262,602.584656,610.311646,610.391479,620.144226,620.596497,621.314087,622.155579

0.05826221906516924,0.1851612301756015,0.02310966642067674,0.10432189689062314,0.051266792869602285,0.11884527113935041,0.04430731228476383,0.1367130888986746,0.03891592824461614,0.011381760572293106,0.009730226228477393,0.09675151547479165,0.015651736682945144,0.019135027603843772,0.01601773520970807,0.011044117804326996,0.021273680400699126,0.011838873808627678,0.015899426472998565,0.27220665610044936,1.0,0.010709874227701432,0.01334152146197016,0.28647293854976347,0.026355440366921012,0.0283865839644911,0.023332079518627563,0.010619778220653289,0.015672591633979174,0.017717824128830436,0.00954672419131286,0.012237961334717998,0.01327970364911175,0.01139670541052629,0.01727173108571432,0.06175929588496795,0.008454332002342711,0.010258363327806825,0.019751414362314482,0.22071199827179402,0.014952898685099811,0.01117680801201556

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413948

93.070023,93.606903,95.085464,96.088699,97.004623,97.101189,98.1045,99.342033,101.594429,106.171883,106.515846,106.548355,106.828773,107.085457,109.101173,109.111832,110.104317,111.116699,121.101295,123.116661,124.119499,124.993851,131.861725,134.22403,135.116653,137.133041,145.100784,149.13179,151.1492,163.146317,173.713699,184.072586,206.942551,247.242035,252.267776,264.268097,271.870026,279.270325,280.262604,282.27829,289.250977,290.254059,298.274902,313.272675,314.278625,326.993561,338.341888,356.351471,415.045685,490.795044,546.482788,572.617737,577.258179,602.586426,620.148499,620.597778,627.7052,630.09845

0.0377825175129594,0.014862287528507084,0.2837246085339868,0.035138310658768664,0.013486697096773251,0.14560242899859896,0.016212614087688672,0.014840998681850693,0.014182816465626953,0.014305116849615846,0.016797825229976363,0.01422429065407333,0.01415751787230929,0.05018608835735514,0.17063882681713227,0.016196073021381718,0.023052995635295795,0.0623205918008385,0.14312849217595194,0.10302330858877015,0.019523493154591835,0.014597923018476693,0.014507973891644575,0.014819435213340615,0.11589374989740817,0.051205931900437575,0.018656598530262854,0.03761340303398055,0.02284751607163821,0.017559004489499867,0.014664716204544112,0.032813721361878836,0.014257865901835486,0.039241984215644614,0.17916254941162635,0.6208032169572958,0.015467726895071532,0.029786989011280744,0.08631545596729961,0.31022106511450004,0.024466767134709175,0.02112413295080471,0.028890219543231767,0.04090565250360225,0.03976412505409043,0.017016186264505496,0.02698023558922144,0.06487688708186284,0.014413521033311321,0.016549750646072964,0.02022274127249628,0.016844009467535757,0.01446461427866653,0.07267492888726304,0.07608109585025286,1.0,0.016263519546553428,0.018492234975903132

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413950

93.069672,95.085236,96.080116,96.352837,97.064545,97.100922,107.08519,109.100792,110.237541,110.396324,111.116455,121.100792,123.116417,128.108017,135.116333,136.922226,137.13176,149.131836,151.145996,153.227982,163.148331,165.161789,198.220505,211.204239,235.580795,247.241272,252.2677,264.210175,264.222931,264.267731,264.314423,264.326721,264.339539,265.251556,280.264069,282.278229,294.275452,303.303101,338.340942,356.351074,362.332184,380.351746,398.36554,482.544678,572.572571,574.590881,584.573608,590.583679,596.523499,602.584473,620.595154

0.013104707265267216,0.021689097232982433,0.001889845695052704,0.001314096825427929,0.0020906581538320318,0.012277945101527627,0.011858012068821082,0.015880541456472747,0.0012423582652618245,0.001403570187947197,0.009542639091486189,0.028485436765992567,0.009536862855083008,0.001425458524852605,0.025575678540368345,0.0012709282655419443,0.003591413501324519,0.007789769552456762,0.0018769584550856922,0.0012891481479679284,0.0019699749257321023,0.0021256977807809184,0.00451675723389512,0.009136653482276377,0.0017544403579693609,0.012918952242739935,0.27579036509176685,0.006690008794707867,0.007973362338834158,1.0,0.004931379970596632,0.006910038515807237,0.0070004948782143245,0.005767319694614244,0.0015800476045750788,0.2269775763487404,0.0018241447259041458,0.0034791868300058483,0.014486720721272831,0.024563994605393477,0.001398964714249586,0.007674057823290734,0.002126651753424661,0.0015151536853960689,0.003832812063192384,0.0031410075331169264,0.002920682165486065,0.015160454734556295,0.001323018424119967,0.0662265542733319,0.046126557113456784

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413952

93.069817,95.085472,97.064743,97.100937,99.116959,107.085518,109.101067,111.080124,111.116859,121.101013,123.116592,135.116669,137.132156,149.13208,150.416016,153.435394,163.147232,165.081711,171.769547,185.576523,198.222137,206.750885,211.205704,223.354431,247.241074,252.268082,264.268127,264.313965,264.326538,265.25235,282.278687,303.304657,321.314453,338.340546,339.060486,350.338715,356.351196,362.348572,380.351288,391.168152,574.583801,584.567139,590.584778,602.586365,620.596741

0.01299961860989595,0.02111922647121091,0.0032291528971829324,0.012822407149081071,0.0013367442015113798,0.011214909396094302,0.015734890239766097,0.0021137163856135882,0.0065883097031838814,0.03165565268837093,0.008610702395432433,0.024955138917252952,0.005780114240889267,0.009583958246514044,0.001453007041666574,0.001432874004577373,0.002585663523418366,0.0019256565757951904,0.0013483773181586214,0.0015695885971265507,0.0041252487590505635,0.0015788349832526983,0.007206014445244234,0.0016985824905455184,0.016140210391572644,0.275735884019085,1.0,0.006422548986136398,0.008071354384494873,0.006657280550176165,0.2278459131244025,0.002698001213204406,0.002889170500680812,0.013067796416991103,0.0014488691606738143,0.003584606509496823,0.020980400336060297,0.002098375965894783,0.005642984737781601,0.0016284842209886145,0.0021775535915886874,0.0020127086557811063,0.01701159169833017,0.06282182564532268,0.04746920956211879

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413954

91.0541,93.069771,95.085426,95.131378,96.080719,97.064796,97.101128,107.08535,108.15065,109.101051,111.07991,111.116798,113.228249,114.091095,115.922897,118.659363,121.101021,123.116699,125.131607,127.777954,135.116577,137.131943,148.180862,149.131897,163.148041,177.163773,180.436554,198.222321,211.204147,221.22551,222.672653,247.240646,252.268051,262.250763,264.238312,264.268097,264.313904,264.326599,264.353058,264.365509,265.251892,282.278656,292.300476,298.416321,338.340912,350.160919,350.33963,356.351837,362.343811,364.099091,380.351501,390.795471,411.57959,483.503723,556.580261,572.575562,574.58844,584.57666,602.585449,619.612122,620.598083

0.0026625185759007342,0.02304247205933508,0.0318682006172229,0.0009531519621363372,0.0032459412745937033,0.003342578057481528,0.014897509213036918,0.016880245670158136,0.0009578140603711267,0.01829017308759937,0.003476248435369237,0.007578318540536576,0.0010039369218826136,0.0016203530731962919,0.0011035065077738522,0.0011023639915129478,0.03326018654342825,0.009373981925926514,0.00150427326353044,0.000955472931691287,0.025999083351350854,0.002457798754100156,0.00102648137736744,0.008355359315134297,0.0030336393745605933,0.0011080726919164223,0.0010092888834488398,0.004582584999014831,0.0030688805765169726,0.0012331204622943702,0.0011515973896863293,0.004924364112618345,0.2617591871889494,0.0018246226026724557,0.0024704076025856433,1.0,0.005824822985977083,0.0075972723001292335,0.0063572862778688176,0.005814227208409172,0.004504668143138978,0.1949719146910089,0.0035640882466175788,0.0011211253369161642,0.007154154741772975,0.001029611487149223,0.005542096386938826,0.00373680697933339,0.004018410295237163,0.0009271440235998312,0.006913270022103894,0.0013224753065491156,0.0010407845957390422,0.001415587363334244,0.001388491230094812,0.006453069381385513,0.0015485879540901707,0.002617623516491281,0.0170881485743813,0.0015013970652931715,0.006108649588271884

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413956

93.069931,94.954437,95.085587,97.064529,97.101097,99.320564,102.56395,104.701866,107.085686,109.101204,111.116837,113.020424,116.072021,121.101173,123.116615,125.097145,135.11676,137.132401,139.112473,149.132278,152.294617,163.148682,177.163483,182.919907,194.82901,198.220703,211.205994,247.242065,251.505936,252.268463,264.268524,265.253021,279.10675,282.279144,303.303223,321.315613,338.341217,356.351959,362.343597,380.35376,396.349884,572.580872,574.581421,590.589355,602.58667,620.597656

0.013171879389893797,0.0013838455495597504,0.023681052915034858,0.001971897607889446,0.011461432232048225,0.0012497561914279936,0.0012989526580617185,0.001306248616568075,0.00907766625908677,0.017886560418838755,0.007556017170975574,0.0013784041977592772,0.0014253619726226911,0.02983065897853321,0.00828891441801566,0.001883995788106336,0.02429312191926538,0.002478924365474532,0.0016862943374688576,0.009083180001993409,0.0012108451061317697,0.0030931277881086406,0.001904709646085322,0.0016275127715516273,0.001541497720350003,0.003955018871519,0.005746468543019332,0.009726883640004078,0.0014060166105932237,0.28272773118700617,1.0,0.004751835781469319,0.0013488103067334797,0.23182847883077892,0.0021181965321204906,0.0023219435964985896,0.01143023044696734,0.019472718052972838,0.0018100996263029417,0.007738572330900593,0.003092496896676287,0.004590903870613515,0.0018838050583821235,0.010269117148909799,0.0503806694299137,0.03082138635981732

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413958

91.054588,93.069893,93.906738,94.457832,95.08551,97.101067,97.853745,100.075317,107.085419,109.101135,111.080833,111.116615,114.09095,116.085754,117.611015,121.101112,123.116676,128.106567,134.625168,135.116714,137.132278,139.031113,149.13237,151.148102,163.009171,163.147629,198.221451,211.205414,247.241516,252.268234,263.496094,264.26828,264.313568,265.252411,276.268127,282.2789,294.279175,303.303864,338.341278,350.342194,356.351807,362.34375,380.352509,398.364349,556.594666,572.577332,574.588379,590.586548,595.141113,602.586243,607.10199,620.596802

0.0017886998417257275,0.015830103762485108,0.001196121229855333,0.0010568619320986206,0.02507543322197177,0.01232033154847898,0.0011610063155031692,0.001699563867123371,0.01313157022065895,0.016643435127110442,0.0023463904128239225,0.008307558716552331,0.0019588409269256668,0.0012085669699493612,0.001266765594607623,0.029752064395725353,0.007367786743357476,0.001345126168912793,0.0011595174753467183,0.024052999422598857,0.0030379281194719936,0.001109273902323671,0.00785546843525261,0.0017078752835370796,0.0014031250500198989,0.002199745559170151,0.006054698529698551,0.004968886383966361,0.012710921979269728,0.2860627168400902,0.0014410603130340345,1.0,0.0070043795163866615,0.006574662467451808,0.001770812320972436,0.23151254836112156,0.0021189769186941675,0.0023895574079219875,0.012512295326581034,0.004347555287205661,0.014378001723771997,0.0030082615018774484,0.010487157609888038,0.0018112819405676558,0.0014713207127601286,0.004502496510268538,0.001992242734368967,0.006431945202272069,0.0012358893760312955,0.04824099646322846,0.0011331222322246855,0.025398534319943804

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413960

90.732773,93.069801,95.085403,96.341866,97.101089,99.586823,106.294533,107.085312,109.10096,111.116646,114.090828,121.100861,123.116402,135.116547,137.132446,149.131897,151.147446,163.147751,165.164185,165.744904,172.069519,198.222107,211.205261,247.24115,252.267975,261.6203,264.268036,264.353943,264.365631,264.378601,264.391052,265.251923,274.331085,282.278595,321.312469,338.340668,350.339233,356.351471,370.915833,380.350952,383.11438,433.886719,483.352875,493.815399,556.566345,572.572449,590.582581,602.585632,620.595886,627.625244

0.0013125428252707008,0.014020389476235809,0.026265883929422237,0.0015801818445678204,0.011696599998701181,0.001466656686797901,0.0014777208164580894,0.014298611288608851,0.015019813431976338,0.007882284020445513,0.0022026162654667004,0.03474999512996329,0.00872129558827369,0.0221712592682911,0.005462023874657188,0.006835432091641404,0.002987230259592598,0.00305128639396882,0.00224838939618622,0.0016079073980000591,0.001689383779594326,0.002942019617715504,0.010097933762676562,0.012212520797850535,0.28071747226725746,0.0016146457136427428,1.0,0.004110525704996327,0.0070983583149455635,0.003984587021125537,0.004937138501294113,0.007157456907278854,0.001667799630579102,0.23607412167775985,0.0026732982049940076,0.011340101220318864,0.004180651409091433,0.019963457411697288,0.0015487298545072226,0.009679357001416639,0.001394753830949318,0.0016151773955866435,0.0019144219071867434,0.0015701557152689157,0.0019753675393352943,0.005023545504943923,0.009492232598127344,0.055441273023832116,0.035132202093402766,0.0014930438429209723

CCCCCCCCCCCCCCCCCCC=CCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

OXASEZHJIONDOQ

C40H77NO3

C40H78NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413962

93.069908,94.492973,95.085426,96.088875,97.06472,97.101074,98.059563,98.104416,99.080444,100.075455,105.068947,107.085434,109.101021,110.10434,111.080345,111.116707,112.120079,114.091125,119.084641,121.10096,122.104385,123.116592,124.119698,125.095917,125.132286,127.111427,128.106644,133.209854,135.116562,136.120148,137.132248,138.135376,139.111282,139.147644,142.122345,149.132202,150.135422,153.127243,153.162842,156.100937,156.137772,163.147827,165.163849,167.143066,170.118073,170.153748,177.162827,179.17868,181.159622,182.567978,184.0728,184.133179,184.168945,184.205444,191.178986,193.194397,195.172928,198.148956,198.183594,205.193924,207.209549,209.189651,212.200775,212.236588,219.210648,221.225769,223.206482,226.216644,233.227814,236.262039,240.233017,240.268036,241.269852,247.241608,248.248886,249.256897,250.261093,251.138,251.23407,254.245544,254.283722,255.286972,261.253265,264.266968,265.248627,266.067505,266.08374,266.095459,266.1091,266.12204,266.134491,266.150848,266.160431,266.176361,266.187042,266.200989,266.213928,266.227173,266.238739,266.283783,266.334381,266.345123,266.357391,266.371246,266.384949,266.396606,266.410614,266.425537,266.436127,266.45047,266.463531,266.475525,266.491394,266.501587,267.287079,268.264343,268.298309,278.285828,282.28009,282.316376,283.972473,283.984863,284.028229,284.07135,284.090027,284.101074,284.115723,284.130127,284.146027,284.159424,284.174133,284.188599,284.202454,284.217743,284.232239,284.244446,284.294281,284.348145,284.36496,284.374847,284.390991,284.405823,284.419067,284.434967,284.448395,284.463165,284.478485,284.49173,284.506958,284.534332,284.563934,284.595734,284.607086,284.636475,284.653076,284.666626,285.297607,294.278595,295.281982,296.293701,296.331268,303.303864,304.307343,310.273285,310.345795,312.288452,313.288696,320.330505,321.314148,322.320496,331.892181,338.34079,339.344635,340.292236,350.340698,351.34494,352.357239,356.351501,357.35498,364.355347,380.352112,381.348511,382.367218,396.378601,398.362854,403.726624,422.400513,447.568573,502.87616,511.274139,550.231262,558.585571,574.591492,575.594971,576.60498,577.610596,586.590759,587.594727,604.601624,604.798889,604.843262,604.884521,604.935059,604.972717,605.605347,618.520264,620.347229,620.528442,620.802795,620.845581,620.927307,620.986328,621.039185,621.092224,621.175049,621.2229,621.279602,621.364746,621.459961,621.543274,621.598816,621.694153,621.787476,621.877136,621.919556,621.974548,622.044739,622.113892,622.157166,622.25531,622.346619,622.394409,622.427124,622.611938,622.812561,622.864075,622.946655,623.013306,623.104675,623.1698,623.201355,623.261597,623.300598,623.356873,623.397705,623.449158,623.615417,623.826416,623.861206,623.922424,623.954956,624.020935,624.108215,624.156006,624.246765,624.329834,624.392517,624.459534,624.539917,624.655884,624.762695,624.845093,624.905457,625.000122,625.448853

0.00601415829601905,0.000708893723743321,0.14228592873908827,0.00668391241778397,0.004934928009996326,0.08266332074442334,0.000866412261108413,0.00401951596178121,0.001979537061013828,0.008842572211590438,0.0008165936902445027,0.0072763826190975715,0.09344231775039401,0.004881548098236927,0.007395094450053339,0.045536061508003205,0.002571863879657717,0.013066828706671287,0.0009303314899323881,0.012461124365618543,0.00202989972687065,0.04761399885555364,0.0025371756717440363,0.006763640245101618,0.0118020223765924,0.0010873172052171607,0.008457616978298407,0.0007484258314140095,0.014782070471158756,0.0011404994963585973,0.017845270196367984,0.001297032236527158,0.005212396698647027,0.0014257315527571614,0.005285899869057099,0.01176549246778878,0.0009450273712777965,0.004367312290511643,0.0011758648054151402,0.0012047500134265735,0.004062742555592776,0.007541769502629484,0.0028768158395704115,0.0028995084599005233,0.002031451271583459,0.002407698320538485,0.003193107412975518,0.002759334449960609,0.002120851143538379,0.0006498098573073982,0.0017080445646332073,0.001974056101054382,0.0027743642592723532,0.0013774059426980884,0.002272242325892114,0.0029513681481490067,0.0013467762893277866,0.0010074440169835532,0.0023306177730742913,0.0017924970096412458,0.0022786750757587174,0.0013567255728124054,0.0015538329100581844,0.0033250330077340927,0.0020051225975609615,0.001409803344549835,0.0009278746626452629,0.0018847871580908533,0.0013191341648922338,0.0006514046019726051,0.0012269229701049127,0.009068518533887706,0.0010304601918512482,0.0022105755127888598,0.0008081869875443898,0.006937856679923235,0.0015854646317003914,0.0007504770873105935,0.0011313951280276923,0.002041250474180216,0.06998197023589428,0.008369081735957445,0.0009965520929806646,0.001650158501571199,0.001792367777614212,0.0014994574366024237,0.0009380709950849082,0.0011679855989855305,0.001221986204050691,0.0014244245161893568,0.0017934780435917381,0.0013605739572381983,0.0022188510948549754,0.0017250068206994106,0.002543299017715736,0.0025648945799530243,0.002741076853707531,0.0027865617114302835,0.002835588853973358,0.48558884315482365,0.002194024914311414,0.0026279527647343607,0.002782836426468162,0.0023111918029512187,0.00193617387548099,0.0022821603839961423,0.001617829868504581,0.0012101091906925059,0.0015083092818000186,0.0011341872062333304,0.001081320355728858,0.001289179727148841,0.0008568357719468454,0.0011812819020219454,0.06207732252716322,0.0011416929599548094,0.0013334475368709166,0.0022307206557886307,0.002563116080939636,0.0010231297972954437,0.0007356386733231562,0.0011198220474771372,0.0011989201279214389,0.001492503137568094,0.0011802367234369248,0.0016568917872257067,0.0017594769362374917,0.0019306442444818716,0.0017116989140123584,0.002138348060835709,0.0024488504078780567,0.002731736474417451,0.0033243074179211338,0.0031336732022204266,0.0033215360000247284,0.0036590907161135502,0.5967990275683297,0.0032453153652936013,0.0032176223041082224,0.003856116929808191,0.0028603001416841597,0.0024760989849510326,0.0025810969112698605,0.001994494046135639,0.0020872811238602388,0.0018685606767147665,0.001494448884937548,0.0016506095880804484,0.0013288068710055943,0.0017880476463699375,0.0012770042520703004,0.000908052316885684,0.0008776198142998612,0.0012987116903148232,0.0008505665921346939,0.0010019779618731675,0.07734102453836735,0.012036059206746438,0.0018744549912273279,0.0021198893542146496,0.0014723147915249148,0.013058695184322707,0.001909747287542342,0.004217542831156296,0.002058511565978956,0.007884873851641577,0.0010851063913967925,0.0010208343670829098,0.010244843198097792,0.0014652459736700062,0.0008808568464513856,0.041948766584329895,0.007988121574050355,0.0011294859813048002,0.016968982514544165,0.0025641654076597542,0.0025191795563705515,0.11542637002246005,0.017993477171926987,0.003955390717156766,0.003918931366832925,0.0010521173517310234,0.003345159283210292,0.0010523647777892404,0.0025390349172053715,0.0007134349641887201,0.0007904439145938548,0.0007689421150466105,0.000739716283941702,0.0008101864102983172,0.0007381451669550965,0.0008626651845274869,0.04631094505382414,0.015969238573792642,0.007239192399516103,0.001806419007237213,0.017680723735207102,0.005193574439822097,0.2233894728336948,0.001400168466213911,0.0014508094064063497,0.0010934790373513755,0.0010987879393435699,0.0008768397021657546,0.08265831596688138,0.0010407127435763989,0.000639221204636051,0.000954331245742617,0.0011639699662036721,0.0011514117932068105,0.0010102875975938033,0.0009225404823752554,0.0009814289908123598,0.0010395214498690377,0.001187795871260989,0.001041065631796599,0.0012016271199014278,0.0017777667933594292,0.0016611930509464095,0.0016507557990240909,0.0016998110512099179,0.0021010459652470045,0.0025298845175571283,0.0020585960865498187,0.002135570794748838,0.0028502930346799705,0.002538247259916442,0.0029692916278841537,0.0035410176917807347,0.0042001638235172525,0.00532554644609221,0.005578878694481117,0.0052366934974041315,1.0,0.0054040004404688905,0.005958230338183514,0.004179075004510942,0.003726880120982122,0.003557825057347891,0.003283741311847724,0.002994658132388721,0.003329734421214218,0.0031439231142232427,0.002819635552948804,0.003599624247580609,0.0030668646427507514,0.37678213616438916,0.0032729744717367726,0.002243278825694482,0.002440985160448521,0.002081252297875974,0.0020707222260215883,0.0015258870413665973,0.0015002932950975425,0.001277342142711148,0.0013585839682460567,0.0010020183335516359,0.0010223530821810629,0.0010809042656321057,0.0020781637392872365,0.0009418432572133543,0.0008382543398742963,0.0011025509562618257,0.0007366161217023273,0.0007332106635200187

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

NSIRKWOFPXFDTG

C40H79NO3

C40H80NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413964

95.085648,97.101128,100.028015,104.376549,107.083298,109.101456,111.116844,114.14608,121.101631,123.116875,125.132568,133.973862,137.131851,200.688217,201.042786,217.405609,234.80275,254.284317,266.145721,266.284241,284.242218,284.294739,302.305756,303.304108,308.948181,311.292328,321.313965,338.34256,354.191162,362.341827,422.719635,451.147583,480.278961,584.053101,586.591797,604.603271

0.19232508304145496,0.06034971592367524,0.011958640992711513,0.01544314926399346,0.013534715002085092,0.09434325939173391,0.029306513526959937,0.01135619368414064,0.017958227290437827,0.048882737918600476,0.015913364862975187,0.011728191597803288,0.02068703214528012,0.017135789255030672,0.01630859070567415,0.012566498796455551,0.013188802632403376,0.07424967141680482,0.015053491117090914,0.6037527515959775,0.016654206466898896,1.0,0.06523615228602905,0.020036799034010868,0.013232420354652453,0.014942561731809382,0.035780252516530324,0.03598060876734724,0.01194001714713699,0.022081055245200657,0.012759347154004312,0.01624660037469424,0.013232857180913417,0.015835637460295066,0.1743870502218912,0.9123142867220063

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

NSIRKWOFPXFDTG

C40H79NO3

C40H80NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413966

92.291283,95.085686,96.184006,97.10125,103.246979,109.101219,111.11689,116.306282,122.057564,123.117012,133.035721,135.117294,137.133041,140.491852,142.082291,142.122437,146.011612,149.132217,159.722885,170.154282,171.687363,216.140594,238.252045,240.269363,254.28479,256.263885,264.268402,266.28421,268.176788,282.278381,284.2948,297.307434,300.286682,301.263092,302.305176,303.303864,321.314667,338.341553,537.443604,580.102661,586.592224,604.603333,604.760498,622.613953

0.0022429747781098812,0.03087222022983269,0.002335976618692252,0.01954608665628923,0.0019884677853011026,0.02283593857132183,0.011279016406441918,0.0021887013567122144,0.0021857323664598288,0.009529675847734932,0.0020887900995842264,0.004548652356689157,0.0034775563709339504,0.0020342588364683214,0.0024417525502822934,0.0024625881348054528,0.0023132144157975605,0.003801927497315926,0.002011256060078883,0.004375862773029687,0.00206660435869738,0.001995401072728228,0.003474066787291816,0.0036851290389185135,0.01183493017974326,0.007620512627067707,0.0036036259621797335,0.1826434746700188,0.0020681112858020314,0.004012752730751941,0.37066814336259163,0.002368681561913658,0.0027119701186644274,0.0021204491156207143,0.07416747756654797,0.00945275263783001,0.021100177795714947,0.037372822315409976,0.0019044445288138603,0.002162488170223271,0.06195014508650148,1.0,0.007772749355050714,0.029575330301928666

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

NSIRKWOFPXFDTG

C40H79NO3

C40H80NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413969

91.053833,93.070045,95.085632,95.115891,96.089066,97.06501,97.101265,98.060028,98.104393,99.080894,99.852768,100.075714,107.085594,109.101273,110.104675,111.080513,111.116867,111.83741,112.120277,113.096817,114.091408,120.554993,121.101311,123.116829,124.120461,124.637871,125.096146,125.132553,128.107071,135.116791,137.132492,139.111694,139.148605,141.267731,142.122772,149.132263,153.128021,153.164322,156.10199,156.138535,157.790817,163.147766,165.164215,167.142868,170.117798,170.153854,177.16362,179.178864,181.158508,184.071594,184.13382,184.168701,184.205093,189.700119,191.178818,193.194672,198.1474,198.185715,205.193848,207.210754,212.236404,219.208786,221.225632,224.236923,226.216385,233.227737,236.008133,240.267654,247.242477,249.257477,254.244965,254.284119,255.287125,265.249573,266.067047,266.076263,266.158112,266.17038,266.184784,266.197784,266.210236,266.223267,266.283997,266.342194,266.354218,266.368378,266.381104,266.394592,266.406342,266.421295,266.432556,266.500519,266.510376,267.287628,268.261688,268.30011,274.655853,278.282715,282.279663,284.126862,284.141205,284.155426,284.170319,284.184143,284.199799,284.213318,284.227692,284.242645,284.294525,284.344055,284.358704,284.372894,284.386566,284.40213,284.415955,284.431305,284.444611,285.297821,294.278839,295.280304,296.148041,296.295227,296.331482,302.622162,303.304657,304.308563,310.273987,310.346924,312.289581,320.331207,321.315125,322.318268,334.704163,338.341644,339.346161,350.341827,352.358429,356.352417,357.355591,364.356415,380.352112,382.366486,398.362335,521.390625,547.833191,562.589111,574.591309,575.595093,576.608826,577.609558,586.592834,587.59491,604.6026,605.605713,620.530884,620.562073,620.768555,620.800171,620.854309,620.890442,621.555115,621.597412,621.650146,621.686218,621.836365,621.879761,621.929321,621.97644,622.021423,622.068909,622.11731,622.16394,622.209229,622.25708,622.304932,622.349792,622.398376,622.443298,622.612549,622.774353,622.82019,622.867493,622.913574,622.961182,623.008301,623.05426,623.103638,623.148132,623.197144,623.242859,623.293823,623.335815,623.390869,623.47168,623.616577,623.769714,623.829895,623.885864,623.923523,623.980286,624.015625,624.118347,624.18866,624.275879,624.324951,624.388062

0.001382455061091172,0.006463289768253376,0.15625334269242175,0.0009164051043503991,0.007739701359966843,0.005132037520216484,0.08518131075615222,0.0013959351898419456,0.0038143577355169564,0.002019183976482898,0.000796087423515277,0.008365081723229247,0.005919375666123449,0.10080255054727465,0.004911237675971079,0.006633095878940924,0.04387675461292673,0.0007906653429499298,0.002681200037195618,0.0011322720032348019,0.010628032910064629,0.0008604679080498667,0.011698418601821319,0.04827717752874912,0.0017309878217238032,0.0008326592905223608,0.005916555188505075,0.010253573563091095,0.009090309305243571,0.012138995056287972,0.016394225361541163,0.0047561859192222005,0.0014232890381537095,0.0008683798258005218,0.005158883765091091,0.00999048293379698,0.002728228177193544,0.000911757033355113,0.0021750569532825834,0.004662665023284671,0.0008847061264159351,0.006864752089478647,0.002753100215469842,0.0027815831201614964,0.0018972238542306686,0.004534862254118588,0.0029485119080653235,0.0015175063807668727,0.0017743248027600397,0.0012942200722650676,0.0015726243644618068,0.0033242745447709366,0.0018992667888596986,0.000833594524515604,0.0024696192561484793,0.002401254308595205,0.001044575689835245,0.002709721000470043,0.0022273131896533367,0.002481433176435902,0.002401612248178307,0.001026081520725252,0.0013378038690842504,0.0012269762341870318,0.0016245690705938135,0.0015330562631410746,0.0008884827938612103,0.009217915521055607,0.001944123366453384,0.009574451250102464,0.0015622572951797063,0.07230659820107718,0.007237648644304404,0.00156993428001279,0.0015954297023783243,0.000840836089747337,0.0018296510621840193,0.0017483686690883285,0.00281376103821488,0.0029122799149499663,0.002755227295729748,0.002849282611467843,0.4976716973657955,0.0036531203270846503,0.0027013392168842455,0.0030283219163998064,0.0024698996328371536,0.0023291588622054455,0.001472540607888546,0.0024050222253684476,0.0013341502069890104,0.0013463066518903703,0.0007920513338994894,0.05860574971575033,0.0015159781137825798,0.0010899001258188649,0.0009070333279809135,0.0015078042849450736,0.0031872533543680966,0.0019883437141501948,0.001983926079710933,0.0021731686590247927,0.002855785897286323,0.002698710796258371,0.003905723608767543,0.0034075534657822923,0.003387741072126694,0.004033971194115003,0.6034175488498752,0.0035162587562012223,0.00440943000806645,0.004025674840083097,0.0029985472825451998,0.003295248227555622,0.002721630148117325,0.0028425888748761278,0.00199875398033812,0.07170771401239673,0.013328411840670877,0.0015985345715757895,0.0008399577009194406,0.002732515097482694,0.0010951110391973903,0.0008195356543103054,0.013108608574576597,0.0012152474224727471,0.006232246342862532,0.0032199361448912384,0.009157956446430623,0.0017068469170924963,0.013156319672165517,0.0017933487348186753,0.0008348646545678957,0.04258267248214072,0.007297651397306343,0.014659832700950273,0.002948556549384542,0.10935663831199642,0.015243335620814516,0.004190441217480657,0.0048587331780884915,0.003011910346720878,0.0022447275992390847,0.0008506022580634287,0.0008022659307459358,0.0011826769607430835,0.04571723988057609,0.014326151769796944,0.006984736400228797,0.002819173323605249,0.01907691127258263,0.007641828026832479,0.2247576467868256,0.07449021181325925,0.0011365515370201228,0.0009297144542385781,0.0012267136811386727,0.001357097740695073,0.0015344716409310647,0.0012149408700666783,0.0017069549889444987,0.0015257319177621655,0.002676372273544337,0.0014314810116122846,0.00252916001260573,0.0025009550759315987,0.0027539590126322865,0.0032198115320064427,0.003176271092583462,0.003386612816883193,0.004215600700599693,0.0042389105886897205,0.004929686079013721,0.005086974433603396,0.0060336785556984246,0.006401999140488524,0.00712921987617411,0.006102423440540412,1.0,0.006313664429256508,0.007065355426083452,0.006689524058716127,0.0057912767816877845,0.005520929733909092,0.004703878617970663,0.004220834416766706,0.004370600105913783,0.003313520952832684,0.003069570838701169,0.0034633280721759426,0.002650654604893986,0.002556923506027392,0.0026910754021118462,0.002306909623445342,0.34121477156061186,0.0023619582345170568,0.0027064698403474283,0.001500315502704452,0.0018537100706807186,0.0017632877821849597,0.0018847025647135104,0.002035138206469061,0.0009749533791076225,0.001502500393702956,0.0011211822313144844,0.0011785338424627446

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

NSIRKWOFPXFDTG

C40H79NO3

C40H80NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413971

91.053894,93.069626,95.08551,96.088783,97.064743,97.101158,98.095619,98.104439,99.080368,100.07576,105.696198,105.867996,107.085365,109.101158,110.104439,111.080383,111.116707,112.11985,114.091293,121.101219,123.116653,124.119919,125.095932,125.132278,128.106964,134.606033,135.116592,137.132233,139.111267,139.147568,142.122513,149.132248,150.132904,153.12709,153.946976,156.101807,156.138184,163.147858,165.163651,167.143234,170.11734,170.15303,170.188751,177.163513,179.180084,181.158981,184.07251,184.133118,184.169281,189.218628,191.179245,193.194458,198.148743,198.18544,207.210861,209.188034,211.204361,212.201309,212.236938,221.227264,223.205276,224.181946,226.216156,230.689621,233.227341,240.231873,240.267899,247.241653,249.256943,250.259399,254.245728,254.283859,255.287125,261.255066,265.248383,266.119141,266.131073,266.143158,266.158295,266.170471,266.184143,266.196899,266.210052,266.223816,266.235016,266.283661,266.328644,266.341522,266.35434,266.367554,266.381531,266.391266,266.420654,266.432465,266.500061,267.287262,268.260956,268.298279,278.284515,282.278503,282.315125,284.098053,284.11142,284.126373,284.140289,284.155701,284.169525,284.184601,284.198059,284.21344,284.227753,284.241272,284.294189,284.34433,284.357361,284.372131,284.387238,284.401581,284.415131,284.43103,284.443024,284.460114,284.473572,284.532745,285.297394,294.278503,295.279968,296.292236,296.332153,303.303955,304.30603,310.273163,310.344086,311.291504,312.289398,320.331146,321.31427,322.319122,338.341248,339.344879,350.341064,351.344666,352.358429,356.35199,357.35498,364.355988,380.351959,382.368256,398.364288,398.929413,572.555725,574.59082,575.594299,576.604431,586.591858,587.593262,592.611572,604.601868,605.321045,605.605225,606.51886,621.040771,621.321655,621.362793,621.414429,621.458618,621.50354,621.602051,621.644104,621.696106,621.733337,621.834717,621.881104,621.928406,621.973267,622.023926,622.066711,622.114929,622.163391,622.209229,622.255676,622.302979,622.35022,622.397217,622.441711,622.611816,622.774414,622.819153,622.866394,622.913269,622.9599,623.007507,623.053467,623.102356,623.14856,623.193909,623.244446,623.288269,623.388062,623.473389,623.615845,623.791077,623.826477,623.918152,623.992126,624.069397,624.146057,624.220459,624.296326,624.415466,624.512024

0.0011306484088234752,0.007046234728948858,0.1527017322039462,0.005749702770466914,0.004919333588274374,0.08195048801829041,0.0010494645401069387,0.0036001769309910087,0.0018226332258802604,0.007721958446406927,0.000741211387864273,0.0009262587593174396,0.006512035684784071,0.0989103586373685,0.0049657053844406746,0.0071053148045486176,0.04385131516750696,0.001193653931937816,0.009913812210743887,0.011927513219473329,0.04740223830733072,0.0016204970171308758,0.004701749378023302,0.0103159473934412,0.007864931189751337,0.0007582003066871664,0.012770341330908444,0.014288891185847218,0.00532373002400662,0.001975251326250621,0.005898711222343479,0.009749837516772086,0.0009601651290342166,0.0036924823526033332,0.0008832462738031407,0.001551241140511111,0.004300506984590103,0.006219334730540486,0.003112039477067138,0.002882503589961162,0.00209024115171145,0.003422759395926159,0.0016424662660538536,0.004261901212845087,0.0019875936412730288,0.0011633782626354768,0.000907976215870442,0.001838527785724217,0.0030512662579020283,0.0007261740093026812,0.002468806215194211,0.0023042384105759492,0.0011339628992573332,0.001746906430265976,0.001873844806592469,0.0013477673074916538,0.0009104114046058318,0.0014803588979237351,0.0029290408520139684,0.0010098572566530643,0.0011671685906125499,0.0008154610013052185,0.0014817179850742435,0.0007225648539606376,0.001445796339948298,0.0014532564337734507,0.009545098431523109,0.001416212221657901,0.008333271007350875,0.0012137398181553446,0.0008445826874260872,0.07017985322638386,0.008289732190135264,0.0011056513536703973,0.0010848459550061346,0.001741691140304789,0.0017563206944951008,0.0012744210119699619,0.002121097841357899,0.0020310128813157383,0.002343600620515601,0.00236232322644533,0.002899629107776816,0.00356941712006283,0.002482702851564102,0.48628935392657346,0.002890892987838538,0.0032088526007649407,0.0028134409762787774,0.002639407259891057,0.002892412113511474,0.0015451710555291734,0.001968857712161572,0.001318520782565132,0.0013168648935155175,0.06571864467279474,0.0010863311973810408,0.001069513336192648,0.0011439284155200986,0.00214265540019273,0.0008450650208288402,0.00213840625918712,0.001677968655389245,0.0018279351960198208,0.0018840449512536844,0.0025414769979151372,0.0025354950725668254,0.0030705727622418228,0.002769969266776149,0.0038678975244809503,0.003944339638057268,0.0032605021891609185,0.5988811367013116,0.004373249316084587,0.003756133620207971,0.0035175658811074794,0.003816277871474178,0.003219080541129622,0.0024350463128948487,0.002720015453435603,0.00168997855783598,0.002693229611573099,0.0018208790608490817,0.0016697068921915199,0.07479883497075827,0.01428593057086947,0.001424346514559893,0.0018705136204117665,0.0014652513691992878,0.013869811411393406,0.0017347443851144636,0.0032969809232969655,0.0022875382347980035,0.0008665266077517627,0.008754427159524233,0.0025087322579267868,0.012179172143393641,0.0014608999221113297,0.04625474572241805,0.006146657534151979,0.015044873251494508,0.0023527985959322898,0.0028140620470126216,0.1094100760610784,0.019466608242556555,0.0041971101085077015,0.005394700590611539,0.0038127767796938034,0.002186357544956517,0.0007181372526546276,0.0008255911601874954,0.04503342985240564,0.015105629035185149,0.006875419039278745,0.020552283169486978,0.005317170615263231,0.0009508196163572441,0.22394163326706046,0.0012047669314802865,0.07886637899234175,0.001363079366188839,0.0017370867252323669,0.0011719766315461664,0.001564187583944643,0.0019590939299975467,0.0018201931851245018,0.0015310530290557837,0.002388676653719468,0.0017048987454862845,0.0025890078745117433,0.0015559842107226653,0.0025583539874594946,0.0026681453008979387,0.002736115776131674,0.003215375165952385,0.0036938958831681736,0.0036552496487262227,0.0038303996801250665,0.004515628948782536,0.004744900024177573,0.004977253760176834,0.005680491467489416,0.00661632765420024,0.007126310177124513,0.005956425467009908,1.0,0.006347965592896661,0.007007425661457891,0.006604146364003763,0.00616919439939279,0.005141755443385615,0.005034315024765801,0.004127662285369301,0.003952142834802332,0.0037359093240797764,0.003074794271927884,0.0030422492085444945,0.0028197974180440484,0.0028515283121401313,0.0026561577667905917,0.3602159004217475,0.002456264716718594,0.002802221558361217,0.0022687065803505134,0.002023403605043723,0.0015550739859840816,0.0017610060336139847,0.0013704994918162159,0.0015781204063348105,0.001435707877989743,0.0016161291208719487

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

NSIRKWOFPXFDTG

C40H79NO3

C40H80NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413973

93.070137,93.942207,94.067581,95.085838,96.089134,97.06514,97.101479,97.187462,98.104477,99.080765,99.150963,100.075821,105.8871,107.085747,109.101494,110.104713,111.080887,111.117111,112.120468,114.091705,119.745781,121.10144,123.117073,124.120216,125.09623,125.132698,128.107101,135.116974,136.120117,137.132675,138.135895,139.112381,139.148636,142.122803,142.922989,146.60788,149.132797,152.10701,152.85051,153.127487,156.101547,156.138092,163.148315,165.164017,167.142395,169.667007,170.117981,170.153397,177.163483,179.180313,180.950439,181.159409,184.168625,184.20726,191.005371,193.195038,194.764938,198.184158,198.221161,205.195709,207.211563,212.199921,212.23764,218.785843,219.210281,221.228012,233.227249,237.218704,240.236282,240.268784,247.243027,249.25795,254.246002,254.284576,255.288193,257.995636,265.249847,266.080811,266.091644,266.104248,266.145905,266.155792,266.171173,266.18399,266.197845,266.211151,266.223755,266.284546,266.329468,266.342102,266.354767,266.365997,266.381622,266.394623,266.406616,266.434296,266.446655,267.288208,268.267426,268.301392,278.281525,282.279968,283.897339,283.982849,283.994629,284.054688,284.066864,284.084137,284.096924,284.127319,284.141479,284.155243,284.169983,284.185303,284.197968,284.214783,284.226746,284.241699,284.295074,284.344238,284.359375,284.369812,284.387634,284.401337,284.416718,284.431458,284.460663,284.473389,284.489532,284.502136,284.533936,284.60556,284.61792,285.298431,287.41687,294.279449,294.994507,303.305145,304.308685,310.274963,310.346863,312.290131,313.292847,320.331024,321.315216,322.321747,338.342285,339.34671,350.342194,351.343109,352.357239,356.353119,357.35614,364.35553,378.368866,380.35257,381.356659,382.370697,398.364044,502.487915,544.302124,574.592651,575.595947,576.606384,577.605652,586.59314,587.596497,588.464294,592.612427,597.847717,604.603821,605.6073,618.20575,618.807312,618.837891,620.482544,620.513733,620.575378,620.666016,620.706421,620.80658,620.850464,620.947998,620.991577,621.039734,621.082031,621.134216,621.17926,621.225281,621.274109,621.318726,621.366333,621.416687,621.454529,621.508728,621.553101,621.600342,621.647522,621.695312,621.740173,621.78949,621.832581,621.882751,621.929138,621.975708,622.021851,622.069641,622.117737,622.161133,622.210632,622.258118,622.302307,622.352234,622.397766,622.442688,622.613403,622.776367,622.819397,622.867065,622.91333,622.961426,623.008606,623.054688,623.102234,623.149902,623.193848,623.246216,623.290466,623.396912,623.468018,623.617676,623.770752,623.835815,623.872009,623.936646,623.971069,624.014099,624.069641,624.163147,624.235718,624.286499,624.409607,624.50531,624.588074,624.657898,624.700073,624.75592,624.849976,624.891052,624.986816,625.028015,625.084229,625.173157,625.225403,625.46759,625.563965,625.842102,625.880127,626.017029,626.223206,626.258606,626.652771,626.682922

0.002298634140379163,0.00042452644000460897,0.0004224730331029761,0.07077063798119781,0.003349980950812694,0.0022769843606532955,0.04091936705176002,0.00040974546661384304,0.0019118461049748786,0.000730823537300609,0.0004673851006368756,0.003276508591444481,0.0004361969444483937,0.0018530934577277592,0.04702549285024181,0.0022632844100746586,0.003072886806405976,0.02202911417438208,0.0007055583801251852,0.005008946912459255,0.00048301205062156543,0.004393511177524972,0.023891660890089563,0.0013450362732430536,0.003351731807304643,0.006562741493170239,0.0037297158256794586,0.006064630350912895,0.0005175010139973436,0.009686808891261757,0.0007771579300067034,0.0022079777317398253,0.0008642248648657825,0.0024166272460035857,0.00041848573623931226,0.0005732047379150551,0.004121042328580126,0.0004930839825766885,0.00039646079807967554,0.001585285236381168,0.0006841578410949346,0.0025017471845844392,0.0035644754950465113,0.001551089342322405,0.0010721749376185268,0.0004276792360463165,0.0006889884977030419,0.0009244215173270788,0.0012686599451632952,0.0011283527951080278,0.0004800566378576974,0.000630660976030533,0.0015764632935507986,0.0006964993183077396,0.0004593700463253657,0.0014115713111642412,0.00047181151044543526,0.0010666617798438505,0.0007344900472929974,0.000786086075504553,0.0010143969798009013,0.0008498132984420069,0.0014023242436080607,0.000540942578487978,0.0007280179495672926,0.0007691521488319349,0.0007481233747342461,0.0005800934647303566,0.0006255443469197165,0.005426725048524818,0.0006996727851685833,0.005562391672256367,0.0007146219482202475,0.03017864567981111,0.0029861179674557465,0.0006063901953448853,0.0009152503986706099,0.0007348532631149633,0.000699338528694841,0.0004985061676969326,0.0011269177515211021,0.0007488671617856793,0.0009746733201245954,0.0010617962061624131,0.001526536630269428,0.0015820722935437962,0.0014677834652544902,0.2611998059643882,0.001523082475532818,0.001857027652833283,0.0015274389977203361,0.0010655053530614189,0.0013903465526106215,0.0012224046096614202,0.0009077387487886038,0.0009007983198858705,0.0007034812968046723,0.03230471983562145,0.0006900138027563497,0.000701110418443399,0.0009685944339535161,0.001594024080871938,0.0006051143534788161,0.0006355413154315817,0.0005589165233079337,0.0008406088677924439,0.0005968955431013062,0.0010051226623790965,0.0007849669492250141,0.0012443257531983304,0.0012095987380046035,0.0011201800932279153,0.0014032939599201025,0.0018336645242254862,0.0016027933879352034,0.0026675455764060847,0.0019284942662519148,0.001926436300447084,0.36250081431721387,0.0019395371588594424,0.0028180172896255244,0.0017842184182320477,0.0020345517482409157,0.00166173699474402,0.0018316658241622292,0.0016101824626522825,0.0014437510979754642,0.0009901361461989583,0.0011032390171154093,0.0008574512004892482,0.001219070646660175,0.0007345995144441307,0.000489589160148769,0.04704891441701147,0.0004970136187790144,0.006322988319879504,0.0005371789301601239,0.007915929227929669,0.0015759201534120582,0.0036438589897543508,0.0007498791525668658,0.005815948617061256,0.0012784038389512908,0.0006703847918859841,0.007202757605934978,0.0014503340616742106,0.028597311941317382,0.0038969853180993593,0.005607573677617809,0.0008554954488420993,0.001082643190281583,0.10888694348712806,0.015431712392709067,0.0012133070564751005,0.0004650534919938029,0.0017286439003025335,0.0006927206470739647,0.0016274588316229667,0.0024445733964529085,0.000568377862709619,0.00048816763794109206,0.014095472884350828,0.005719727555666937,0.0029545001785662374,0.0010051704277335117,0.00699688471920751,0.0028844814553180167,0.00048240814066817934,0.0008246052841601032,0.0004992610417700699,0.13582602905823338,0.04789762459668751,0.0006265380494625294,0.0005345719174194283,0.0005099648601167481,0.0010457808097846233,0.0006652884185312498,0.0012706011398955594,0.001246375637581201,0.0006444161520641642,0.0009372179605168086,0.0010871604174142293,0.0010984466973946306,0.0012568350839473514,0.0012513118763842067,0.0010245798821314294,0.0014340567324988643,0.0014001701240754184,0.0012987647740484584,0.0014338649436598588,0.0015659601229656129,0.0014973037071114772,0.0017886402173606275,0.0014729708621916391,0.0020545696197186354,0.0016165315718476058,0.0018630183631449472,0.0022535172040028546,0.002215739607773902,0.0020649578831953997,0.002650553625785856,0.002271555648263345,0.0026852804338724553,0.0030547186383894707,0.0032186148980899248,0.0030542119703251135,0.0036592302218529,0.00425184866240838,0.0037752061846941464,0.004825522043009955,0.005373486491034447,0.005162152357424462,0.007287774344901695,0.006766284325406888,0.006063719798486462,1.0,0.006690073468282583,0.006808167285689216,0.0064041494031771,0.005678257804660207,0.005564758613035824,0.005038424880695897,0.004327733345329703,0.004004173634710985,0.003436718084547665,0.0030989575568319146,0.003392691158923527,0.002709795741868976,0.003209500662594267,0.002544763880686772,0.3662386894787245,0.002256779570749259,0.003008598725484808,0.0028015123208581703,0.0018435539939527267,0.002302577868354137,0.0016435778409803466,0.001648093927326194,0.0015978060683661476,0.0011453254737310286,0.0013387260195516768,0.0011879790057881773,0.0013385703921263642,0.0007456446860788573,0.0010015479016928673,0.0007129165780555144,0.0014207811817710926,0.0008752661506954746,0.0011886664792233994,0.0008882847408943421,0.0006587184584439337,0.0009303618725964379,0.0006387749808648717,0.0006505529577804906,0.0006825972184409374,0.0007901810264831873,0.0007584754776461172,0.000590436864050086,0.0005519278613621496,0.0006920020888960659,0.000631986499840744,0.0005127255828442302,0.0005575908433185777

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

NSIRKWOFPXFDTG

C40H79NO3

C40H80NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413975

95.085625,96.089218,97.101295,98.104729,100.075974,107.085159,107.351906,109.101288,110.104652,111.080711,111.116875,112.120354,114.091278,121.100998,123.116844,125.095627,125.132545,128.106949,135.116882,137.13269,139.111816,139.149551,142.122101,143.718765,148.206253,149.132202,153.12709,156.13739,163.148148,165.164276,170.116394,177.163147,179.179214,184.172104,193.018051,193.196594,198.184616,205.195023,207.210892,212.237198,219.209549,230.220016,240.268814,248.247131,249.257584,250.259491,254.246918,254.284241,255.287704,266.19809,266.210693,266.223328,266.284088,266.342194,266.352875,266.368866,266.379486,267.287598,268.265411,282.278992,284.09848,284.111725,284.142334,284.1521,284.185028,284.199524,284.21286,284.228638,284.241455,284.294647,284.34433,284.358337,284.372955,284.387573,284.401093,284.431427,284.44339,284.460724,284.474121,285.297943,294.278595,303.305145,304.30896,310.27356,312.289551,321.315186,322.319183,338.341827,339.34494,350.341309,356.352539,356.427155,356.445526,357.355713,364.358185,365.351166,380.351196,382.370392,398.363983,462.292267,555.34668,574.594116,575.59668,576.610596,586.592041,604.602905,605.606323,615.858704,615.925781,618.851685,619.132446,619.592712,619.780151,619.815735,620.060486,620.102905,620.201233,620.241028,620.385986,620.429932,620.479492,620.520508,620.573547,620.617188,620.664429,620.760498,620.801086,620.854675,620.897034,620.946167,620.991699,621.039062,621.083862,621.134521,621.178467,621.226257,621.273132,621.31958,621.364136,621.415283,621.458801,621.508606,621.549988,621.600281,621.64917,621.693604,621.740051,621.789856,621.833252,621.882263,621.928589,621.976257,622.021729,622.069336,622.117004,622.162048,622.210938,622.257324,622.303345,622.35144,622.397827,622.442993,622.612305,622.71875,622.774414,622.82074,622.866089,622.915222,622.960144,623.008057,623.055481,623.102661,623.148682,623.19696,623.244141,623.290649,623.339844,623.400085,623.61676,623.77771,623.837158,623.927124,624.080994,624.177856,624.222351,624.279846,624.327087,624.368958,624.421753,624.467651,624.510254,624.598694,624.663147,624.696777,624.750366,624.795471,624.849365,624.939453,624.988892,625.028381,625.08313,625.125305,625.183472,625.220764,625.270874,625.317078,625.36377,625.431458,625.510681,625.54364,625.603027,625.647644,625.79248,625.93512,625.974854,626.028931,626.06958,626.128662,626.316895,626.512695,627.264526,627.298401,629.400574

0.026575809809410683,0.0008720040269838225,0.017605667498958765,0.0007383075087623218,0.001079488619563951,0.0005875428187109993,0.0002965833905991406,0.018717951697097238,0.0008182143096408794,0.0011632045222829746,0.009975969672202682,0.0005163330899863137,0.0014928599627611126,0.0014754387065992682,0.009590520641035624,0.0006945776673280759,0.0027411344200510977,0.001454018889616433,0.0015729067214467459,0.0031531928123616805,0.0005429824800597411,0.00048509774920555126,0.0011232802741024596,0.00036807421544102166,0.0003163387991477803,0.0014286199031036415,0.00042814854793944994,0.0005702464027056984,0.0012026622010659542,0.000727519519583861,0.0005737220675682526,0.00042743651072773653,0.0005610449651989375,0.0004765468864558832,0.00030793711195339023,0.0006129633030255682,0.0005109107400693252,0.0003777038196772455,0.0007825504222166597,0.00039416935541607373,0.000588253134029163,0.00033300699940582915,0.002319711986521676,0.00034593071873770313,0.003935422492058125,0.0003650410066727947,0.00044807035620464354,0.01060035307126758,0.0008205217018683721,0.0007203568495044134,0.0006257219301303152,0.0006848024280005498,0.11736323716771244,0.0007624167635612835,0.0004484697848181769,0.0008149951494337087,0.00045548174818966017,0.014458867843232958,0.0005133383152408221,0.0007271627348790833,0.0007609965797288972,0.0004990253188899822,0.0009736433495976935,0.0005853189929300463,0.001005799549119953,0.0010882295485294402,0.0009667951066868521,0.001355387960645718,0.0009834241392230629,0.19033036252260802,0.000986851003688876,0.0012128679038519725,0.0012218082442904466,0.0011140840038440817,0.0008012718072984248,0.0009289270413583677,0.0005421595095294658,0.0007463103724881649,0.0006597213772430994,0.02251783672059494,0.0023463759528551294,0.0044288016817595815,0.0006160784833331678,0.0016480433425951522,0.003543726769199897,0.004038815563513833,0.0008000557548608872,0.016548869417759595,0.00209314023059264,0.0011273102209406294,0.0885840254004121,0.0004524662412187348,0.0005742871940764772,0.012804456222881483,0.0005869957451722965,0.00041982127372045544,0.0010931225904595077,0.0006141512867692208,0.001986915083735239,0.00031563046126366606,0.0003424429650850156,0.003977000846575888,0.0009727015997671395,0.0008622516243021628,0.0026075711617581814,0.07234412290818676,0.023225631482903086,0.00038742059457846527,0.000743874696317029,0.0006047512033658186,0.0007049506947931926,0.0009467945804510994,0.000886828469615503,0.0004652312479521486,0.0009200603164417056,0.0006856315226189923,0.0008096367504863893,0.0007706646498650965,0.0009126510931541798,0.0007680605646661172,0.0009699067789302939,0.0007558654686398503,0.0011709172639294396,0.0008870823582468772,0.001022194722905783,0.0011935750136784714,0.0009635025227438883,0.0012673753362134332,0.0012119785267593755,0.001056557141520837,0.0013981505353024759,0.0011946015423358492,0.0011368214926805152,0.0015629691971795435,0.0014287162282849365,0.0013059404486120598,0.0016772287207663498,0.0014969801101698324,0.0013505055082303375,0.0020351837341417264,0.0016048941931687598,0.0023241664002391317,0.0014660721136334775,0.0021084704098211166,0.002228257315695987,0.0022949750260113054,0.0022193239924309847,0.0029134424268299755,0.0024446692987163923,0.0026999829566506112,0.0031325354278944665,0.003458427951427447,0.0032860546224349925,0.0036353608216175767,0.004221233969014277,0.004179287922027225,0.005079948816648908,0.005628510476899191,0.005709656996714554,0.0067905446853585745,0.007153466738712713,0.006138638179736422,1.0,0.005293148784144574,0.006340383795178803,0.00744000824209562,0.006417372658002677,0.0066675128478342555,0.005347682115457274,0.004952847098988237,0.0046722907434242735,0.004050940489373121,0.004002194042509607,0.003463783096805953,0.0031912481047412953,0.002871339453415071,0.0029211001807596293,0.0026472217453990953,0.3345524853534533,0.0023048254114907524,0.00254348113938663,0.0022525076769278284,0.0017263755212059422,0.0014547612917284833,0.0012554652592952204,0.001190426916723584,0.0012616208573305373,0.0011873126295012884,0.000973639267220634,0.001303734037733246,0.0009666415613367747,0.0009901643198572735,0.0011746098826760788,0.0010931630337935327,0.0008937537086033536,0.0007051905496002019,0.0012276239624872817,0.000809993534668589,0.0008061103077930446,0.0006386008682106051,0.0008289339785774494,0.0008155775633351118,0.000685147538319317,0.0009595851673633498,0.0006114140691506179,0.0007184524263544299,0.0007095921442983375,0.0005820818435078342,0.0008656087654049377,0.0005594633889896012,0.0007704567543430127,0.000489975385544769,0.000920062421384716,0.0007351298124834408,0.00042628753479714317,0.0005336286771833688,0.000585100507893275,0.0007158275446529587,0.0006709302604370526,0.000454670929681421,0.0005112992927955869,0.0003550079228006403,0.0005749495383287233

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

NSIRKWOFPXFDTG

C40H79NO3

C40H80NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413977

93.069817,95.085526,96.088776,97.064865,97.101158,97.268829,99.79377,100.075584,107.085922,109.101196,110.103966,111.116821,114.090714,121.100784,123.11673,125.132309,128.10675,128.358673,129.913712,135.116776,137.132339,139.110641,142.122604,149.13266,153.127731,156.137741,157.612015,163.148468,167.142136,170.153748,177.164261,181.158005,198.149506,202.80687,207.210205,212.199997,227.618149,227.946915,235.878433,240.26889,249.256958,252.322739,254.247833,254.283829,255.28508,266.283783,267.287109,282.279602,284.156311,284.167725,284.214172,284.227692,284.242676,284.294373,285.297546,294.279297,298.736816,303.304779,304.401978,310.273132,312.289673,321.314331,338.3414,339.344696,350.341919,356.352081,357.355133,359.744354,364.355988,380.35318,398.361908,478.884552,518.443481,574.590942,575.594849,576.604431,586.590332,587.596008,597.71936,604.602234,605.605774,619.269165,619.305969,620.481323,620.522583,620.806519,620.849609,620.898987,620.945068,621.087097,621.132263,621.179382,621.225037,621.366882,621.412964,621.460327,621.505859,621.555664,621.597473,621.695801,621.739502,621.788818,621.834961,621.88147,621.928711,621.975891,622.022034,622.070312,622.115112,622.163696,622.209717,622.257935,622.302795,622.351685,622.397583,622.444275,622.611633,622.77356,622.820374,622.866943,622.914062,622.960205,623.008911,623.054871,623.1026,623.148499,623.197021,623.24353,623.290222,623.338379,623.385193,623.427307,623.4776,623.61615,623.767639,623.812744,623.877258,623.946533,623.987915,624.041382,624.090576,624.14209,624.178772,624.235535,624.273621,624.330261,624.370239,624.421509,624.465759,624.521118,624.614502,624.6521,624.75708,624.789917,624.846497,624.893188,624.935974,624.992188,625.027527,625.13031,625.176331,625.219543,625.320496,625.360474,625.417297

0.0006386809228080986,0.024427032235753363,0.000928840339702584,0.0007163333633267666,0.015546924855668698,0.00034287546602124115,0.00034660255950413806,0.0009359342331086867,0.00043343462350708376,0.01747734988279755,0.0007369431511100957,0.00890339046266875,0.0011810633100559412,0.0015974618174610712,0.01007116717385977,0.002449610683854424,0.000932414214565281,0.00044642663101732887,0.00030409404226752014,0.0021589226215034674,0.003994012863450956,0.0005739149532745158,0.0010392490161255478,0.0021662368007815433,0.00047949871767706526,0.0007091699213688284,0.0004185747924958918,0.0012162593431272258,0.000420013002775291,0.0007490788173520166,0.000529541876707086,0.0004305631116431605,0.0004051319886599943,0.0003388281936060911,0.0006813811022296454,0.0005008327357452752,0.000358509511581128,0.00035590275327277424,0.00038953537490478467,0.001548774286698797,0.0018265363472725394,0.00040840509711445204,0.0004084963844091093,0.010693703956520856,0.0008110091634776183,0.11375518371530731,0.0103731005461431,0.0008037448929960081,0.0008175161000464828,0.0004941423123444264,0.0011811455122429186,0.0009489597489508171,0.0010855144140561668,0.1729908321684962,0.01682190708808408,0.0024874557153869215,0.0003859647899208795,0.004397572126674017,0.00040833575091462693,0.0017578112039156773,0.0036689595971868094,0.0037278561028412627,0.015207655457553971,0.0015912173812083815,0.000924462056717444,0.08169735654880353,0.009565881595048014,0.0003775138758329916,0.0006104630717947421,0.0005744883948219447,0.0023631401781112346,0.00032996437028925144,0.00040213431446414657,0.004262881893185505,0.0010609398852813377,0.00137922118277238,0.002268016567985507,0.0008124561055779908,0.000426766419849737,0.07197554495096488,0.01589067286024152,0.0006664575436041631,0.0005289817978561468,0.0009364684465626903,0.0010873679136885743,0.001416392297520483,0.0008075215909180437,0.0014162876209913673,0.0010903839869897609,0.001555605376260709,0.00118365996983794,0.0016720025683777714,0.0012571618538263813,0.0017819938548016517,0.0015817847729282864,0.0018604468056786277,0.0016413062991600317,0.0023179781318845814,0.0016309362603606924,0.0025540602022110274,0.0022089414850232562,0.002743354605726645,0.0025816277237181847,0.0028547898984881237,0.0030109719746612158,0.003351212209621755,0.0033962707942606666,0.004009213398025161,0.003923265059156864,0.0045572190481245325,0.004861324504206475,0.005947175522538821,0.005550673910979214,0.007385873485210681,0.006667724535886176,0.007012047551063819,1.0,0.005906654260442795,0.007941824004338958,0.00691541251240339,0.006030338298559611,0.0052715518690815664,0.00525503569315308,0.0047124379801454525,0.004096834533692646,0.003812474628250746,0.0038096234652035404,0.0032298741760271752,0.00296515129834938,0.0028212244461132035,0.0029850408041999653,0.0020595311752712574,0.0027753938487476773,0.2516381494079338,0.0021031500046234117,0.0016959681726825616,0.0017649640157585775,0.0016789249709429977,0.0014077434450180976,0.0013700292083516647,0.0015156100262103905,0.001189839616957596,0.0013288045698381888,0.0014384453834093741,0.0012720349969460602,0.0010127205630693482,0.0011911034255126906,0.0010835692978924292,0.0011469389431834531,0.0011943853412554697,0.0010833526568445775,0.0010764269129832451,0.0009486142362103117,0.0008578127240436898,0.0008697292173496946,0.000862970207398371,0.0007587860239447115,0.0008625584874021362,0.0007880728591634154,0.0008537236675970161,0.0005054130323817121,0.0008053064318498748,0.000655666269288231,0.0007312474047732684,0.0009344450765641127

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

NSIRKWOFPXFDTG

C40H79NO3

C40H80NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413979

92.661858,93.069878,95.085556,96.089241,97.064896,97.101204,98.104584,99.080559,100.075821,107.08577,109.101173,110.104698,111.080399,111.116859,112.120049,114.091225,121.101219,122.088737,123.11676,124.120064,125.096176,125.132462,128.107025,135.116806,137.132278,138.136536,139.111267,139.14769,139.561676,142.122681,147.570389,149.132507,153.127426,153.163956,156.138199,158.468124,163.147888,165.163971,167.142639,167.29129,170.153641,177.163544,179.179047,181.160156,183.572205,184.073441,184.169678,191.178864,193.194916,195.175568,198.184708,205.195587,207.210098,212.164505,212.236893,219.210892,221.225876,223.206223,233.228485,240.231506,240.268677,247.243561,249.257477,254.249283,254.284027,255.286621,255.889709,265.250519,266.124298,266.134369,266.161407,266.1745,266.187408,266.201172,266.213959,266.22644,266.239563,266.28421,266.332184,266.344757,266.35968,266.370117,266.385071,266.39743,266.410187,266.439514,266.452423,266.461945,267.287415,278.285461,282.278595,283.99881,284.045044,284.057831,284.072906,284.086365,284.102661,284.115997,284.129852,284.145416,284.1586,284.187561,284.203217,284.217529,284.23114,284.245605,284.294739,284.348145,284.361267,284.378082,284.390076,284.40509,284.420288,284.43399,284.449524,284.463318,284.477386,284.492035,284.509155,284.520294,284.54892,284.578186,285.298004,286.916199,294.279541,303.30426,304.308624,310.273743,310.348572,311.278259,312.289673,313.293793,320.33078,321.314972,322.317902,338.34137,339.289886,339.345306,340.291321,350.341125,352.357086,356.35202,357.355469,364.358185,372.799957,380.35202,382.368286,398.362701,462.634766,468.928741,484.824829,534.940186,574.592163,575.593567,576.60614,577.615112,586.591125,587.596313,590.140991,604.602661,604.843384,604.892517,605.072205,605.125977,605.211853,605.270813,605.606262,618.195862,618.242737,618.388367,618.703613,618.759399,618.936523,619.043396,619.213501,619.31073,619.40271,619.49054,619.545471,619.634338,619.670715,619.723267,619.786255,619.871643,619.912048,620.050049,620.105225,620.200928,620.28772,620.353394,620.427551,620.46759,620.522827,620.61377,620.700134,620.766907,620.842102,620.899048,620.986145,621.041382,621.133606,621.226868,621.320007,621.415344,621.508301,621.59314,621.646606,621.74054,621.771912,621.829651,621.879822,621.924072,622.007751,622.071106,622.104187,622.208008,622.270996,622.353943,622.431763,622.61261,622.817322,622.901428,623.016052,623.066528,623.114502,623.168701,623.208008,623.258423,623.30658,623.352722,623.399048,623.448364,623.616028,623.773315,623.828125,623.866028,623.916077,623.967773,624.00824,624.062744,624.100708,624.152283,624.201721,624.293762,624.340576,624.390015,624.436768,624.477722,624.581238,624.646423,624.746704,624.812256,624.878113,624.930115,625.010925,625.093872,625.172546,625.242981,625.306763,625.382874,625.478882,625.55957,625.647827,625.690125,625.767761,625.843384,625.928162,625.99469,626.056824,626.167297,626.294861,626.36969,626.495911,626.646057,627.023315,627.082581,627.687256,631.526367

0.0002903313951680367,0.0010570902905084627,0.043601916554267504,0.0018712907840925837,0.0013932908007037736,0.02756610046331699,0.0018266318011957354,0.0006337174378669069,0.0017133852635181767,0.001214629026740732,0.031163041749907718,0.0016958118902510278,0.00193902499192136,0.014890143477027207,0.0009951595471944183,0.0030771304841794834,0.003286978416463003,0.0002916963420421681,0.017474939979715033,0.001153794485973492,0.0017408545390945318,0.005259259929773298,0.002385623877465047,0.0033765974295535857,0.005406904177579028,0.00037541613908433324,0.0013501131001830515,0.0009868351839679612,0.00037561992516079535,0.0018317782815646892,0.00036696145759713733,0.0030273236997446318,0.0012993395120520944,0.0005621961306358048,0.0011058759457030427,0.0003358333967198309,0.0018444096450748887,0.0012788831733089856,0.0006224348952423042,0.00034731701509281115,0.0012487078638338278,0.0012231771944588934,0.000856972176450239,0.0008165548338272587,0.00031253945881902555,0.0004131695815119775,0.0011277387762922782,0.0008997648898552567,0.0009612210491588847,0.00037451441107634137,0.0007971191530301998,0.0007437490752299539,0.0009699578427318222,0.0005345845365661542,0.0005654929418861389,0.0006898375931699423,0.0004891735473369655,0.0004747465559305521,0.0003933446951296185,0.0008875455812013869,0.00333878199880129,0.0005224497796409781,0.0037702990767462074,0.0006945452816205104,0.01656567652721058,0.002080364404692622,0.00033885688822581485,0.0008800531542621319,0.000380048448273431,0.0006824478264741031,0.0006675562007736565,0.0007536225794744027,0.0008241949551043965,0.0008389769407712576,0.0010099332334472873,0.001231899560247723,0.0007751604055679936,0.17720138827052984,0.0009820422839767885,0.0011014204970106619,0.0008240165138405012,0.0010686694950758446,0.0006718415091613609,0.000671108600288996,0.0006967565013975611,0.00033344517583040983,0.0004482526662408279,0.0006398302042809355,0.023406195573581486,0.0005137688645652996,0.001237106496076186,0.0006233169586920272,0.00039698643194154096,0.0005249250756147154,0.0005480097326119956,0.0007084613313714102,0.0006332746839866006,0.0007255075411904389,0.0009023237007103988,0.0008766557116513783,0.00113804862017993,0.001401341655668192,0.0013168165914108946,0.0015141400172640482,0.0017043325189343417,0.0011720536108766981,0.26224092579955355,0.0014815619849444675,0.0018020573723454207,0.0012512808212417714,0.0014738628236357144,0.0012827919840578935,0.0010128496809009755,0.0009927302294488196,0.0008209613328200604,0.000775262783034876,0.0008476755378790177,0.0007420723278245349,0.0004972898550248753,0.0007135528279295137,0.0007397524136927969,0.0006760146309814528,0.036501088636343,0.0004146242210848923,0.004262886194227689,0.0062385546812360965,0.0005491108381639382,0.0021011097178743935,0.000693796718053833,0.0004301336918774952,0.005396041564287333,0.0008335138495794954,0.00047676523424771495,0.006443048644710407,0.0008118665256131992,0.02207123416543161,0.0005975043410254088,0.0037095776172329895,0.0007410258769501005,0.001603341224163564,0.0005981935817839374,0.10108776372398151,0.017895154190665168,0.000674021699235866,0.00035744436304102986,0.0014182453105742005,0.0008290086044031629,0.002610573801101863,0.00036056270984906417,0.00034976738964616816,0.0003382317094865153,0.0005183188147027572,0.00599123763601136,0.0027685296837132883,0.001350085749665893,0.0007097133391524006,0.0036361582103799465,0.0014291906367745087,0.00041158983727408054,0.10046118022967095,0.0006518609334368378,0.0007421786193513021,0.0005895802889303997,0.00034434813036229975,0.0005024402509989409,0.0004123396741077715,0.036934579122090895,0.00034790550550844437,0.0003947970462214082,0.0003859935251127388,0.0004391359307182041,0.000359469338158047,0.0004908602908155766,0.0004971481963434908,0.0005656026746333418,0.0006103727129916695,0.0006941486481292227,0.00038202199823728235,0.0007175953734359648,0.0006212316470979768,0.0005011031259361902,0.0005089734180400998,0.0007285170746613104,0.0005383841785756986,0.000696953143889796,0.0006659680613176961,0.0007680378750579702,0.0007687506480778439,0.0008571894739912227,0.0006504722673288994,0.0008019129028961995,0.0006602046305429946,0.0006772797005659201,0.0009540615475486615,0.0007696221004540457,0.0008880432725357349,0.0009605088895941133,0.00101265077310602,0.0010538851513926454,0.0010603537140399127,0.0011323509728072892,0.0014092069968649277,0.001363054658733729,0.0016305796211992004,0.0016643707092186117,0.0014774119225462712,0.002020372553446986,0.0019203181637759013,0.00182704432580106,0.0019986841079008806,0.002350467323375247,0.0024122407517683676,0.0025807614082657667,0.003115870371683098,0.00303980472657885,0.0035777730768539874,0.004371740189402331,0.005944343242809431,0.005446146755226199,1.0,0.005718652206690331,0.004766038272567605,0.003740310129368332,0.0036485038042521943,0.00338965980321921,0.003058783176264232,0.0036346525953149106,0.0032376654556594228,0.0030221483576265543,0.0034529480902250292,0.003540490327555279,0.0031985805684233257,0.37614769317896257,0.0029300241978678573,0.0026582027055765114,0.002341643760672931,0.002547669934113454,0.00222800902953373,0.0019669994099164555,0.0018607218612722279,0.0017306868251824863,0.0014479101033312582,0.0017494560897684149,0.0014004960441224106,0.0014007142842518388,0.001012332467169239,0.0010097944056216902,0.001153802125575573,0.0024933393246933254,0.0033472973458988616,0.001041464766990398,0.0008470105355505537,0.0007473395769516265,0.0007550650519302492,0.0007733162065528053,0.0008325870348118387,0.0009021210210164387,0.0007186991676828143,0.0006531056322943163,0.0006416255973026518,0.0005667109500383699,0.0006463830358803631,0.0005230836580080517,0.0005719355215421056,0.0006045636810242073,0.0004962227011996562,0.0006778375630380166,0.0004183203066193853,0.0005503704391902007,0.0005505883965430955,0.000583091967466019,0.0004996154293229608,0.0005607783215474366,0.0004336021994760522,0.00031283470687913797,0.0004169854932161639,0.0005535252131785454,0.0004716970335312318

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

NSIRKWOFPXFDTG

C40H79NO3

C40H80NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413981

93.07003,95.085732,96.089073,97.065094,97.101372,97.739044,98.104813,99.080711,100.075874,107.085754,109.101379,110.10463,111.080635,111.117012,112.120331,114.091652,121.101372,123.116959,124.120415,125.096336,125.13266,128.107132,131.084457,135.116959,136.120819,137.13266,139.111679,139.148026,142.122833,149.132736,150.134476,153.127472,163.148087,163.343796,165.163681,167.142761,170.153534,177.164078,179.17868,181.158157,184.073074,184.169189,191.179443,193.194427,198.144104,198.185196,207.211136,209.189255,212.164093,212.20079,212.238388,219.210266,221.226303,223.206848,226.216965,233.224243,237.220291,240.235428,240.268921,241.233841,241.270721,244.350586,247.242462,249.25795,250.262482,251.235428,254.245041,254.284378,254.638718,255.288147,265.251404,266.098114,266.108063,266.149597,266.160583,266.188049,266.200073,266.240326,266.284607,266.332733,266.344879,266.357758,266.37207,266.383881,267.287781,268.259583,268.299683,274.733276,280.270447,282.280426,283.945435,283.956146,284.029144,284.043457,284.057861,284.087646,284.100586,284.130615,284.144562,284.159607,284.173462,284.188873,284.202301,284.217682,284.231476,284.245758,284.295166,284.34845,284.362213,284.375977,284.391479,284.40506,284.420013,284.434967,284.448425,284.493256,284.506714,284.537231,284.549713,284.578369,285.298462,294.279816,295.284241,296.298279,303.30481,304.307648,310.27475,310.344543,312.29007,313.297119,321.315704,322.319977,335.795532,338.341888,339.345367,340.291748,350.341431,351.346039,352.362335,356.35257,357.356171,364.357727,377.408997,380.352722,382.367554,398.362762,442.379761,495.210938,574.59314,575.59729,576.606873,577.610779,586.590759,587.596252,592.61615,599.240723,604.603882,604.79364,604.849182,604.936035,604.977539,605.074951,605.130127,605.175293,605.27533,605.308655,605.6073,606.589172,616.600647,616.76947,618.285767,618.387451,618.464661,618.543945,618.576172,618.682556,618.765259,618.864014,618.903748,618.973999,619.053345,619.180115,619.270508,619.35907,619.430786,619.540649,619.60437,619.692871,619.743225,619.818481,619.881409,619.960999,620.027588,620.065735,620.150574,620.251587,620.338623,620.485596,620.584412,620.680725,620.812073,620.89917,621.002502,621.059265,621.134888,621.195374,621.247009,621.33197,621.425415,621.519592,621.608337,621.672485,621.709473,621.75885,621.85321,621.903442,621.945679,621.990173,622.081787,622.137146,622.186157,622.228149,622.272705,622.32666,622.409851,622.450684,622.61377,622.834656,622.878235,622.931946,622.972473,623.023071,623.069946,623.115173,623.166626,623.209839,623.258423,623.30835,623.350708,623.401611,623.446228,623.616943,623.778931,623.824036,623.870972,623.916077,623.963928,624.012207,624.058289,624.106384,624.201111,624.242615,624.293152,624.338623,624.394348,624.434998,624.478577,624.625549,624.721863,624.76709,624.816101,624.86676,624.899048,624.953857,625.043396,625.143066,625.277588,625.327515,625.403564,625.493591,625.578552,625.694031,625.76416,625.849976,625.895386,625.988159,626.102539,626.187805,626.227417,626.276245,626.366211,626.424683,626.55426,626.613098,626.690918,626.826538,626.898071,626.99884,627.03479,627.117737,627.209717,627.854919,627.883301

0.0014186145352075667,0.03965113110208148,0.0021181778434090936,0.0011412963183660173,0.025675559854984598,0.00035784876190841144,0.0015647742059804483,0.00040394696454403495,0.001960510286705142,0.001355026327494488,0.02959763092567071,0.0016686015232365424,0.001329437372533294,0.01350218473451479,0.000759535520425466,0.002348337437541143,0.003003066712833644,0.015205207538720728,0.000874969559629989,0.0017362381537223495,0.003677304224415306,0.0023119782153908476,0.00034789563817863063,0.0036820691502858294,0.0006169048391842678,0.0052558134770166465,0.0012225392892383955,0.0009060565165920559,0.0014239707330558752,0.002920921865492602,0.00034021778806346407,0.0010386020263288631,0.0021666386288955097,0.0002774693262860263,0.0011409604530568057,0.0008972648857709452,0.0008539649012359703,0.0012883303329359872,0.0007114232974444389,0.0003732764651058396,0.0009774188024596234,0.0009249470836110422,0.0007970883118624954,0.0007211801549513399,0.00034215943647090865,0.0007742507638764385,0.0011936006394035153,0.0004713909035543555,0.0004541840053320122,0.0009883549291688164,0.0009940495981146354,0.0005572296988699583,0.00039939327394581216,0.00043973145271329075,0.0009480614900346389,0.0005055325210317498,0.0003088694771042356,0.0004243302803822735,0.002556406925594069,0.0003252755388466376,0.0006138952182963564,0.0003899588170487532,0.000684678862595305,0.003666298598704496,0.0006671546100144933,0.00042992845304585717,0.0005052089850427204,0.01644083781130206,0.00031969758075001267,0.001887258711257033,0.0008670055633032747,0.00032115531237297807,0.0006400130979182434,0.00047574892901279764,0.0008716618978733537,0.000903323018389694,0.0010131562123553233,0.0008636629522322327,0.16630858746840277,0.0008416059254312073,0.001083233175626573,0.0010706151844649032,0.0007426003347562069,0.000883827680752613,0.02500384487238617,0.0004900942928583061,0.0005714376358492968,0.00029257544893051824,0.0003232938620273416,0.001029161454588254,0.00027514887728023583,0.0005989843775874834,0.0006480536759543493,0.000590596507094067,0.0004870152408506585,0.0005973936631717535,0.0009001486065738673,0.000762561379316008,0.0009363457092766885,0.0009561458387449517,0.0011885660056851074,0.001141462178980978,0.0015363228473164077,0.0014081110372378644,0.0016798473194184604,0.0014077179694011476,0.24865206225425324,0.0013900597311275371,0.001566665501361059,0.0018427070833920685,0.001198016869194628,0.0012983835616363366,0.0010856994381953273,0.0008941689946775679,0.0010599009855189884,0.0006087741129165806,0.0006726338328217102,0.0005033830117383647,0.0007663084185848544,0.0006275544846519891,0.03596094345521506,0.003906796098434201,0.0007170749971601834,0.0005926638880715387,0.0050587119238080635,0.0006028086675307008,0.002109093317603715,0.0005844289806358726,0.004542720142989896,0.0006543235781414872,0.005754859379674577,0.0010598139116796523,0.00033991747424662745,0.021133795048728515,0.004011270286212451,0.0004551905972647434,0.00268981575489167,0.0005531149511209406,0.0005970919457328164,0.0996268036256588,0.017146010451072356,0.000873617279223081,0.00032544163376357124,0.0013387194346096312,0.0007340814193882146,0.0022123606378159555,0.0003511727935993956,0.00031727482280228994,0.007802923103242044,0.001962064381036321,0.002456499859172471,0.000853113611001244,0.003920058287542717,0.001801516111134681,0.0007204154710468728,0.00036887994843166856,0.09416912099808261,0.0005303628390501464,0.0006820781479195436,0.0005004450949183022,0.00040059523102420894,0.00034317628732648037,0.00029667275432096907,0.0002984702599355943,0.00029627510883682484,0.00031808919186348075,0.037583393950574875,0.0009187162069357216,0.0003319747621739172,0.0004117235149128005,0.00039140695871385734,0.0003013457615566848,0.00037130831977292417,0.0003285950624143778,0.00032084310389896546,0.00035352171029491667,0.0006186498534928375,0.00038819749685567304,0.00041883174408531223,0.0003767731089216772,0.0004673237026828397,0.0005524394125480203,0.000576789489257282,0.00044791657535915124,0.0005523198287624832,0.0005321143021373212,0.0004848477888435583,0.0006974281657795946,0.0004921289952797459,0.0006740427814600353,0.0006755931335288587,0.0006420613657670037,0.0006738533318917558,0.0006491346445302395,0.0008203502694062115,0.0009569756115185697,0.0007698507720879564,0.0008430917229269681,0.0008264701493538219,0.0009124725662772126,0.0010536509968098254,0.0010971249286624396,0.0011326942717820772,0.0010455761362345537,0.001266990276741834,0.0011956285262652237,0.0011727993299401518,0.0012872595214601173,0.0014283467340741034,0.0015922603368638299,0.0020213003781403924,0.0016670943407588264,0.001815540378359366,0.0019311034577332653,0.002127290436182137,0.0022257447165041928,0.0025299902693514684,0.0026887152724650015,0.003317166088074002,0.0032735795555105442,0.003578836579026963,0.004091799294083191,0.004769704991371064,0.004641030614454187,0.0061582592775780405,0.004907269297545714,1.0,0.0057074950672044295,0.005747133281965728,0.004658008568992488,0.004743794337611078,0.004069038795315603,0.0038979259479855095,0.0038740604230847664,0.0033620795077468828,0.0036597630648668848,0.003612921595059951,0.003232315876285274,0.003632877561617176,0.0034334347109066746,0.003863236830299406,0.3967465624533825,0.0024256946382894863,0.0026941944295800764,0.002849406548685404,0.002331816034630707,0.002353211155073144,0.002069923415553436,0.0019174531463114547,0.0018498945679441506,0.002112838485741384,0.0012683250501929022,0.0012446048034641657,0.0013429616513909626,0.0011850707643965015,0.0014168869632575638,0.0010523325292432675,0.01077274145625793,0.0009703943723731697,0.000917830835617732,0.0008159456003372196,0.0007962201157550285,0.000809016531153814,0.0008395285209277372,0.0008310623979547846,0.0008805680662286279,0.0007116082700932418,0.0006830513277339906,0.0005978329071099427,0.0007014818012237899,0.000701700320659768,0.0006338961587888559,0.0007157371504117392,0.0006705764096780948,0.0005470647037489685,0.0005934773549606463,0.0004849552776108863,0.0004672671691203138,0.0004150563707007573,0.0003655663054055053,0.0005984257162838502,0.0004115092731301348,0.00040866989014357844,0.0004222547798560521,0.00038947403093826167,0.00033215362107403917,0.00043841552524288987,0.00030891130986025365,0.00030564695126874793,0.00034334993355513555,0.0005441289263029968,0.0003484416022860865,0.00037553125700545107

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

NSIRKWOFPXFDTG

C40H79NO3

C40H80NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413983

91.053963,93.069801,95.085472,96.088867,97.064835,97.101097,98.104385,99.080406,100.075516,107.08535,109.101059,110.104279,111.080276,111.116745,111.405983,112.074455,112.119797,113.09523,114.091194,121.100914,122.391602,123.116638,124.119858,125.095863,125.132317,126.099312,128.106674,135.116653,136.119781,136.790024,137.132309,139.11142,139.147827,142.122253,144.200851,149.132217,153.127289,153.164612,156.102325,156.138229,162.137344,163.147751,165.163559,167.143127,169.796844,170.117905,170.154221,170.804001,173.100739,177.163101,179.178665,181.159134,184.072922,184.132187,184.169128,184.205597,191.179672,193.193558,194.309875,195.172897,198.184357,205.195282,207.210617,212.1996,212.236481,224.301239,226.217209,229.305313,233.22612,240.268723,241.273621,247.242355,249.257141,251.239578,254.245667,254.283768,255.287033,265.249481,266.122772,266.135864,266.147369,266.163025,266.17392,266.187592,266.202423,266.213287,266.226471,266.240204,266.283905,266.331635,266.344788,266.361237,266.370148,266.384125,266.398621,266.410339,266.423004,266.44931,266.462585,266.490234,266.501404,267.287201,268.261261,268.298096,278.284698,282.2789,284.029663,284.042816,284.072266,284.086639,284.100403,284.129059,284.14624,284.160461,284.172913,284.189423,284.203033,284.216736,284.232391,284.24472,284.294434,284.348602,284.361053,284.389679,284.40509,284.419983,284.43396,284.449646,284.463165,284.477203,284.494812,284.506287,284.521729,284.53476,284.579895,284.593079,285.29776,294.278412,295.282684,296.296448,296.330139,303.304474,304.30658,310.273529,310.344055,312.288696,320.331451,321.314575,322.316101,329.938995,338.340942,339.344177,340.2966,350.341064,351.345337,352.357208,356.351654,357.355133,362.341553,364.35611,380.351135,382.366943,398.361572,413.336456,479.271942,479.851685,546.606323,547.603943,558.598145,574.591797,575.59491,576.605957,577.60968,586.591492,587.595703,604.352661,604.601868,604.757141,604.793335,604.847107,605.605591,609.837585,620.897095,620.93811,621.038757,621.134277,621.224426,621.323975,621.428589,621.498596,621.556213,621.616394,621.693115,621.749695,621.83136,621.879822,621.917847,621.971375,622.022217,622.112244,622.161682,622.289734,622.355835,622.412109,622.612183,622.806519,622.850708,622.905334,622.967102,623.02356,623.110718,623.205017,623.265137,623.304199,623.357361,623.397095,623.446472,623.615601,623.719299,623.775818,623.830933,623.923584,623.955017,624.018066,624.111694,624.198059,624.249878,624.336121,624.391296,624.4552,624.533203,624.62793

0.002057718622973505,0.004867253705754633,0.1371064242800303,0.0059154977752093035,0.006050127944874016,0.08267721954525636,0.0038430068006494434,0.001906323543179047,0.008466577511898478,0.00600862388827361,0.09458676844941453,0.0037348139444507203,0.007656973471492365,0.04201217757125067,0.0007222318757175724,0.0009537562717324425,0.002386336133819245,0.0010629158366756205,0.010849670229239765,0.012446220783250955,0.0009731070276994231,0.04524030965010434,0.0022744350842400073,0.0061207494486499835,0.00908616128796009,0.0008128062950855053,0.006926034470161852,0.012593439744515806,0.000879131760759362,0.0006674447992754576,0.01729319783420227,0.005374861976910269,0.0018639636702437552,0.006454929681218778,0.0007967442743942004,0.01066658983099655,0.004016842914858127,0.0007989511811386134,0.0011539364202873934,0.004045571757683253,0.0008437956633754402,0.006896080255654274,0.0023950408947283806,0.0025502458313994628,0.0006565515284544847,0.0009372127992232605,0.0033396284872618228,0.0006987438030076224,0.0006808972051027927,0.0048686036466553655,0.0027285561810326793,0.002143719869398793,0.0015297741289996656,0.0012502925592251784,0.002308754570122199,0.002069915230324394,0.0023379958686595296,0.0018263056917766649,0.0008330243155565854,0.0011630045854990785,0.0024113579280807774,0.0018078954498292562,0.0026535168569086615,0.0022657825814082055,0.003886007137657857,0.0007613722419578188,0.0018294852518681533,0.0007784335470652373,0.0012850363029979085,0.009620372110951937,0.0011775562923913442,0.0019763233362967885,0.008538543804899034,0.001112223739570572,0.0018154135000863964,0.06936554298887974,0.007660769581182189,0.0022459144338790155,0.0011178613482726468,0.0013220469391066044,0.001959218650135049,0.0014921790122420487,0.0022792963428539003,0.002211928568291929,0.002093920267636144,0.003171828176293302,0.003239405001932099,0.001738502325226095,0.4687154730384838,0.00299404245778176,0.0028982972147357936,0.002076628436750881,0.002825570899363804,0.0022220037501258193,0.0015732893614940507,0.001735762346681149,0.0018660580330394341,0.0015185647807953442,0.0013491116920072996,0.0009533785525265038,0.0013182677248501147,0.05606119290421711,0.0009246076142201569,0.0015864816733622378,0.0016416893527261137,0.0023818073459916634,0.0010307585111485858,0.0013402839336572143,0.00130186707763561,0.0015987730659239626,0.0019936443787810353,0.0023235936495210733,0.0016686379817792592,0.0020567534156282906,0.002994067944033877,0.002409698989832492,0.003005022138820928,0.003740823975234537,0.003236744921286139,0.0032065258130337146,0.5838966573999739,0.003292156209154591,0.00423398692301788,0.003265323703948995,0.0027995771649198357,0.0023537745237034503,0.0023358105867560606,0.0016948834304978612,0.001819208464959299,0.0018061677850307125,0.0012025941938516088,0.001410550051540954,0.0013664413206184564,0.0016659746074387147,0.0009714147255448786,0.0012556496690140446,0.06985348857899233,0.011497374312246617,0.0010793207112673635,0.0019425601235252767,0.0009634940422381435,0.013063198599417373,0.0018674459171141111,0.0033328555720642675,0.0018526616810143888,0.00800203286642114,0.002344869734188554,0.011010435593308188,0.0011263382343119723,0.000764590744592122,0.040448533128103,0.0062388097211788715,0.00126598172618246,0.015356275746339479,0.0030001647463100806,0.0030323380335877965,0.10970279076308104,0.016266419996937086,0.0013845123636342044,0.003364264543907094,0.004433984867391184,0.0033195843616659637,0.0018561055577503908,0.0008589823917685787,0.0008381058669741212,0.0007832199890782003,0.001108120429520412,0.0009450619596236502,0.0009115935653606082,0.04091717972298744,0.014022205451970656,0.007552556395099368,0.001961852672120431,0.018209161104757125,0.0067440817916560765,0.0016199497814210493,0.22016922044932158,0.0013687806742352924,0.0011542786314012812,0.0017910308796330134,0.07065378734101975,0.0007510721129826387,0.0008309054705695325,0.0007472982005422192,0.0010213419040161623,0.0009618287324268293,0.0012977469425302054,0.0014675756063383975,0.0012910501951928978,0.0013835815195641192,0.0017743010506349095,0.0014626324417040325,0.0020867487262482194,0.0017834988006767147,0.002267795615283746,0.0020053096268649,0.002011323950712171,0.0022850744168387204,0.002858198369295682,0.002782416781538126,0.0037066249109552222,0.004188419859553191,0.00552477566830044,0.0051285884916135345,1.0,0.005209463726436261,0.005014259031983102,0.004798001618842677,0.004245340888812222,0.0034787371854145223,0.0038451156191046895,0.003923878887225636,0.002438542093831734,0.0032047815390060666,0.002525802502806143,0.0031745873445972977,0.0030093589117611975,0.3366222505144748,0.0021004168409196394,0.0020047636617983844,0.0027321758856954257,0.0020760244848305525,0.0017894612934070612,0.001937051100284452,0.0014058251012106571,0.0014960316824564066,0.0014207963412777244,0.00099363905174615,0.0010716735078323849,0.001160835626620483,0.0012765563390901389,0.0012804545392364813

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CC=CCCCCCCCCCCCC)O

NSIRKWOFPXFDTG

C40H79NO3

C40H80NO3

[M+H]+

Orbitrap

train

MassSpecGymID0413985

98.983948,101.965248,104.106827,114.72509,117.312851,124.99958,134.324158,150.402664,159.331635,166.122665,183.896133,183.903336,183.911011,183.9189,183.925873,183.95639,183.963776,183.971252,183.979111,183.986298,183.994186,184.001434,184.009094,184.016678,184.0242,184.031693,184.039337,184.046692,184.072876,184.099747,184.107178,184.114624,184.12236,184.12973,184.137466,184.144913,184.152405,184.160233,184.167465,184.183029,184.19017,184.197861,184.205215,184.221008,184.22789,184.341141,184.417252,184.424057,185.076797,186.077866,215.927643,235.022339,385.273804,517.520752,536.028687,538.421143,542.535339,562.745605,657.622742,672.430725,692.252502,776.657837

0.00423766052179106,0.0005226437744679878,0.011339029498204447,0.0006040598116908021,0.0007094817938400646,0.02137172871006905,0.0005684511661563324,0.0005441114187873364,0.0005698514835807934,0.0006327143174531855,0.002161541571486907,0.0018236420079056456,0.0026519596586171024,0.0012221644362258228,0.0022940421616708634,0.002240137147509817,0.003106193399833716,0.003459603805618211,0.0030513072813114447,0.004012055221430247,0.0039124008662059975,0.004595312223359582,0.004967178344779138,0.005434722109619068,0.006506863725398586,0.00639193834922613,0.006973204051869519,0.007468860471718069,1.0,0.005954432741636312,0.007389612959542478,0.007135620723338393,0.0057652149019631485,0.005780826348322546,0.004708473481262613,0.004518793313269856,0.004338329574253688,0.0035285498879652297,0.0037969210430147202,0.002427303083974923,0.003539292866531543,0.002303364736876541,0.0024619189792769807,0.001819235000311183,0.002933597893671849,0.0015666067183271934,0.0011559002887885261,0.0010188572811607288,0.00357094276412483,0.0023349406966635326,0.0006445066230573001,0.0006161899028807396,0.003223227129773269,0.0007682341529357508,0.0005950467542364782,0.0023011611465509124,0.0006156643293951683,0.0007298205872689421,0.0006575838810362201,0.0006924466985958818,0.0006084986787574735,0.0035328601014900088

CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

LYTUERCDYBANSA

C44H90NO7P

C44H91NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413987

91.971863,98.984245,104.107063,124.99984,156.233231,157.645782,183.873886,183.880722,183.896194,183.903107,184.009109,184.016663,184.02417,184.031723,184.039215,184.046814,184.073303,184.091827,184.107285,184.114655,184.122345,184.129776,184.137344,184.220749,184.228073,184.235596,184.243179,184.250336,184.266922,184.2733,184.280762,184.326675,184.333344,185.076965,186.077652,206.542542,257.927032,289.516418,291.351349,307.074493,385.274048,392.290741,470.935822,510.392242,538.423279,572.107849,593.583679,634.582458,635.15863,670.136414,716.742981,776.660156

0.0005173673718726506,0.003933137206447985,0.010621454074673827,0.024773980554164174,0.0005350270478194395,0.0005328450950040203,0.0008895514994867366,0.0022724203935282268,0.002224188932955989,0.0012964625222678578,0.005124521727812563,0.005595719137597516,0.005565079010509658,0.0072663020355022215,0.0070298796912430656,0.0064833023667980865,1.0,0.0025819279184697793,0.00764232165334358,0.0060592601315311665,0.007100059642066304,0.005269090958386176,0.00497783629819271,0.0021508952999939627,0.0024214752559833744,0.0016496819473588993,0.002648092721192553,0.0015595794598966305,0.0009154072969791604,0.0024938619476412363,0.0012941171405712686,0.0015731689395658873,0.0005809331217872236,0.0032507286316419493,0.0016727276478664358,0.0006131465656312728,0.0006116139711341081,0.000607339186393822,0.0005408321283101177,0.0006022508791755268,0.0032614758478906446,0.000879068466110155,0.0006336918656102176,0.0007438372975868866,0.002716121078676911,0.0007068509153587622,0.0007203546974279566,0.0006973066485143098,0.0007871243236543346,0.0005917668686313275,0.0005438144038311378,0.0036904874979112544

CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

LYTUERCDYBANSA

C44H90NO7P

C44H91NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413988

183.972382,336.448914,339.890991,392.279907,520.312988,639.898071,643.631958,652.726196,740.900391,758.826172,776.414917,777.460938

0.9027691980831722,0.16661777520695298,0.04900653725689478,0.048004463798404416,0.31432494115086995,0.04173396774234938,0.15085097810995235,0.12452145210385632,0.18453817160793679,0.0745131408144682,1.0,0.5052681287164935

CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

LYTUERCDYBANSA

C44H90NO7P

C44H91NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413989

91.053566,98.983986,102.057518,104.106758,106.634094,121.833794,124.999565,127.807007,155.465607,166.063171,183.866333,183.873566,183.880325,183.904099,183.910782,183.979172,183.986267,183.994156,184.001434,184.016769,184.024139,184.031799,184.039108,184.047256,184.072861,184.099289,184.107315,184.114807,184.12207,184.129852,184.137268,184.145187,184.152313,184.182953,184.190216,184.197601,184.266235,184.27298,185.076706,261.794067,262.330139,336.363953,385.272156,464.009888,472.912872,510.408386,538.424072,593.582703,625.279602,634.386841,674.210327,772.397949,776.651733

0.0008639934266938577,0.004597855762655043,0.0005830676986159386,0.010902192884728818,0.0007979906282649995,0.0006667958655003774,0.021884858003061707,0.000639238781059649,0.000855110456930849,0.001168243125531848,0.0013819828398230385,0.0018596611781826705,0.0016601249579132646,0.001181399291098443,0.002523755591342591,0.0029363906950974693,0.004193567337149197,0.0038271985759765477,0.00460088703178846,0.005202548148491044,0.006809057266530277,0.0068356849832719915,0.007608287084516674,0.004960398616625734,1.0,0.0075657306325975365,0.007377419614245009,0.007035233210240557,0.006060601496569954,0.0054164429054331395,0.005233321743734366,0.0038971590139028176,0.004489255894945722,0.002740352286679471,0.0026806482981046416,0.0029605651046987784,0.0019360134909007665,0.001686609638703233,0.0014455472570297958,0.0007518124871841144,0.0006934199165823726,0.0011891078783837102,0.004550552330583486,0.0006733695766879086,0.0007348871005014967,0.0009190266328116326,0.0025070014896263204,0.0009983756932331763,0.0008393276682447761,0.000695939662720248,0.0008076541925983039,0.0007582616643093273,0.004899861852076743

CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

LYTUERCDYBANSA

C44H90NO7P

C44H91NO7P

[M+H]+

Orbitrap

train

MassSpecGymID0413991

91.996155,98.983932,102.385544,104.106926,108.16436,124.999603,131.472351,139.600082,162.275681,166.062241,183.866058,183.873489,183.881104,183.888184,183.896698,183.903275,183.911224,183.918381,183.92627,183.933609,183.941391,183.948486,183.963913,183.971359,183.978943,183.98645,183.993973,184.001541,184.009201,184.016479,184.024338,184.031631,184.039368,184.046692,184.054947,184.072937,184.099625,184.107208,184.114868,184.122131,184.129944,184.137238,184.145081,184.152435,184.160004,184.167709,184.17511,184.182663,184.190323,184.197815,184.205444,184.212784,184.220673,184.228348,184.235153,184.24382,184.250549,184.258514,184.265808,184.273026,184.288803,184.295914,184.341751,184.348785,184.36441,184.371811,184.378922,185.077103,278.140839,391.145844,411.668427,412.170929,506.359772,524.371399,560.406433,588.437378,606.444946,661.606445,844.676331

0.00035133487695549734,0.005336939550962191,0.0003354405668978114,0.007068210320283691,0.00037663084031702395,0.029266017719313198,0.00037304386978929564,0.00040017599910164973,0.0003765951803345305,0.0010259199012460974,0.0014176251111526713,0.0020842653284047943,0.0013080107831118224,0.002284859035186329,0.0011370651564902778,0.002327754351606387,0.0019657967086610423,0.0023342927259882157,0.002433966716283286,0.002321957103288875,0.0023770518731855766,0.003276530025702351,0.0029571503902209076,0.0032945126835023865,0.0035410408412501126,0.0037521111259310185,0.004296921547763839,0.004815314337694884,0.004657031979573841,0.0061574516671789896,0.00580323142093245,0.00727731142371152,0.007637153933857344,0.00634866415392489,0.0040613396978327705,1.0,0.006900028412105271,0.007187576116646584,0.006246329876973674,0.006607725009159214,0.005427663866727473,0.005296191397730454,0.004254668107150893,0.004294720420221122,0.00392659819934086,0.003421267009014606,0.0033283163201245415,0.003398598395814592,0.002596476974563034,0.0026254982466415878,0.002680461896173488,0.0024523640383592345,0.002239030774394916,0.0021941779526903856,0.0023321226826581633,0.001540747654615012,0.002574999809100563,0.0015623725075727618,0.0022672127779018755,0.001521492760888155,0.001262807436756988,0.0016447560506356112,0.0009814321988294787,0.0013180189689249162,0.0012857420004208997,0.0010901218167842048,0.0011084804813606454,0.0009151416589346875,0.0003688500125825592,0.000513550232040164,0.00044372112266318853,0.00034759576078838316,0.0013592994961725189,0.0020072870918292534,0.0008110566562545821,0.0006494679528479199,0.0005724070758011334,0.0014738155530125635,0.0034210928117839

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

PQUQBWAOWNGATH

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413993

97.153076,98.983994,104.106857,124.999504,132.273727,168.262482,183.746552,183.752457,183.776825,183.782562,183.81337,183.820465,183.850845,183.858398,183.865494,183.874146,183.880707,183.888535,183.896149,183.90332,183.911072,183.918549,183.926071,183.942001,183.948441,183.963943,183.971405,183.97879,183.986725,183.993851,184.001617,184.009094,184.016647,184.02417,184.031677,184.039307,184.046738,184.072815,184.099731,184.107056,184.114716,184.122375,184.129761,184.137344,184.144928,184.152771,184.159744,184.167755,184.175156,184.182693,184.190216,184.198151,184.205124,184.220627,184.228119,184.235565,184.243134,184.25119,184.258163,184.272964,184.31929,184.326263,184.44075,184.447021,185.07663,186.077728,238.327896,272.662018,303.570953,327.3284,351.089783,478.317261,495.339081,496.334808,506.352875,522.446045,524.370728,560.406738,571.448792,572.202087,661.613037,711.522705,832.625244,841.310974,844.680786,845.682983

0.00040535213921375987,0.005916717881986947,0.007597817640239282,0.030597156320881117,0.0004076223250694037,0.00040984873064518035,0.0005672335630537504,0.0012753398230376384,0.000598831814914045,0.0014031611455960996,0.0008243575721991921,0.0013124552647099355,0.0014469730518935522,0.0014147850186299854,0.0018965148998186748,0.0012795252574250566,0.0024678195585989353,0.0011544636381508348,0.0017951051526790196,0.002075442721227103,0.0021280160734660574,0.0022742812643537415,0.002333456421224684,0.0018408699606626458,0.0032491063900267755,0.0028699520320914474,0.0032283937071131974,0.003988237654987384,0.003186361021349409,0.004430524093314152,0.004462831947681641,0.005307913009151964,0.005391391381450963,0.0062983898860816045,0.006972086227929762,0.007122549588325501,0.0058668068278543446,1.0,0.006860844082540821,0.007759017928001486,0.0069387414493911476,0.005747978849329338,0.005595649347238371,0.005118590946092145,0.004481815240844795,0.0036623366968066176,0.004528252679853648,0.0032779283723774377,0.0032008602230512127,0.0031377184644965166,0.0027682895852820842,0.002258219579603958,0.0029003379453834736,0.002119039018233169,0.002068654978549529,0.0021644022815219626,0.0018052641090134255,0.0016502086067915083,0.002703592443112842,0.00208958843349842,0.000920245577117538,0.0013082512851333567,0.0005907080048374303,0.0010739692023763747,0.002322531788220162,0.001328944537740469,0.0004308960354588562,0.0005527903192606563,0.0005303517527180409,0.000414051983632926,0.0004658184946416963,0.0006020788558603806,0.000452102267708518,0.0007000857417757782,0.0010472931565487658,0.0004603368257761352,0.0018922543176509317,0.0006963459599885694,0.0006495187470239789,0.0004266760128008439,0.0013299863815785292,0.000454298595148748,0.0004582232660514826,0.00040423655849878166,0.0028127812167539168,0.0006426812554695419

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

PQUQBWAOWNGATH

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413994

183.998856,184.717682,186.065613,202.008514,207.240067,208.125488,222.060913,266.019348,282.259033,341.471191,363.1922,375.366638,401.279266,404.527924,419.227539,425.270874,450.316772,464.58551,467.031311,468.611725,478.366821,483.495483,487.703369,490.51709,496.772491,503.467743,504.396271,505.312225,506.327301,515.565308,516.534424,524.477356,525.309326,533.40564,552.426758,560.560852,562.657593,564.388611,573.346375,578.526123,580.624268,585.255615,587.465088,588.510498,591.377258,606.386353,623.666382,628.681152,637.762085,647.627197,659.602844,661.82312,667.566162,683.038208,690.109619,703.076172,707.687256,721.666748,732.80249,739.75354,746.784424,756.893555,765.410034,767.706299,785.423584,793.54541,796.619019,804.917114,808.131104,811.687866,817.10144,820.596558,822.965942,824.57019,825.800903,826.520752,827.688232,843.781738,844.65979,845.835327

1.0,0.007567902020632305,0.0009485058481011523,0.001859226536623347,0.0035456450648240147,0.00166568282062222,0.0013487904614549388,0.001936060918195774,0.001066520194096073,0.0011888849483890972,0.0017547636792000557,0.0014996259685071288,0.0017535715320000592,0.0029506679407570323,0.0009086203575399255,0.0017259656105352386,0.0018417257195939478,0.002757970476412568,0.004652182470793248,0.0022069024899153146,0.006175893473206239,0.0023954050233277605,0.0009083289992415313,0.0008217933661542676,0.0035282237427618174,0.00157161328310846,0.00044492713821395305,0.0015037142282854842,0.0006158272674237971,0.0013494902944743367,0.001097670759174003,0.012356647416604789,0.002845447015629068,0.00199132591183023,0.0037386317614386817,0.007229191620664527,0.003942801366346407,0.0007617116245594622,0.0014070224660861766,0.0018677770522699383,0.002037145701693046,0.0007690860768715139,0.0036234634277055814,0.0024937980702611877,0.0013186013233001045,0.003763436502105743,0.0009269648380177522,0.0025148372452551263,0.003536239700971983,0.0011262003012344943,0.009882157657080741,0.009255309798994589,0.0006814706063344278,0.0016269265283392871,0.0008068388838475411,0.0025363604151889103,0.0007630031404684607,0.006849902275200703,0.0010854286266609881,0.003889623485345023,0.0021742402263564397,0.003264817908427881,0.0015614956998119083,0.0013944295389213832,0.00912915174822593,0.003039263972470948,0.000673337439265644,0.00040867743317009195,0.0016998770261478736,0.0015935583309844622,0.002036267652049503,0.002161729105059057,0.0015671497331361068,0.0012212448537645812,0.0021348792177067256,0.0076816994359252145,0.006545918234858786,0.0645459873329935,0.07958019292386233,0.03648956567057805

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

PQUQBWAOWNGATH

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413995

91.049286,95.647179,98.984154,104.106949,105.391899,105.555923,124.999741,137.204071,148.742767,157.606415,163.429688,183.881241,183.888351,183.896088,183.903473,183.910812,183.941254,183.948654,183.956345,183.963699,183.97908,183.986374,184.00914,184.016525,184.024307,184.031693,184.039368,184.046921,184.07312,184.099503,184.107071,184.114807,184.122131,184.137421,184.144928,184.152527,184.16008,184.167465,184.19809,184.20517,184.243347,184.250916,184.25827,184.265625,184.273254,184.326675,184.333923,184.341202,185.076981,188.088928,238.202942,271.408569,344.013306,431.82901,462.757568,496.335327,506.357849,524.368408,560.410034,661.610107,671.352661,844.679077

0.0004105221677487446,0.0003678009052964276,0.005371530087043415,0.0070727849156933574,0.0004564215009866417,0.00039510309342360474,0.03160909268189716,0.0003897374941264642,0.0003516216271869623,0.0004152383860056869,0.000503925536421536,0.0016511749521555946,0.0023021414025189537,0.0012662511244908902,0.0023377389667629447,0.0019293477502603444,0.0025778912335126976,0.0028805989368408938,0.0027753250618229998,0.003197300585023817,0.0032525853741238817,0.0044669985537488174,0.0051194368950679145,0.005821913884449235,0.00568420990796022,0.00785834182344867,0.0062530148369585046,0.00740087794194673,1.0,0.006290075741076015,0.008455314462792518,0.005885622800939766,0.006879628392602011,0.005061030475917801,0.004614018961261329,0.004789696540550554,0.0031204623961780613,0.0037857894459929434,0.0024482026247196562,0.002815200588785125,0.0017600337156956033,0.0024582874567098656,0.0016821820637233024,0.001717063199975299,0.0020917956197036426,0.0009833605739644473,0.0017724419557681348,0.0006284964033470032,0.0011505556916737542,0.0005869471241989676,0.00042558135289213746,0.0004146468433358877,0.00042263576016325204,0.00046897943529847664,0.00044791941323587615,0.0007165010875795418,0.0007459767128970777,0.002486525339822994,0.0009245681992033884,0.0013803401287265725,0.0004698825912608523,0.0029768057167397876

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

PQUQBWAOWNGATH

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413996

183.999588,313.097076,365.144684,478.38797,480.115082,489.200134,490.374603,506.440369,515.268433,516.238708,517.70697,524.540039,544.274353,560.395996,578.553467,588.496704,590.315308,593.23175,631.70636,639.360718,721.648682,746.57666,762.743652,784.705688,788.562256,789.4646,826.898193,843.870361,844.785034,845.697388,846.391113,847.073853

1.0,0.006647193447217811,0.005616378682256505,0.009168735322741997,0.0065925688627335105,0.009273269459089713,0.005786142529773753,0.019874052754456452,0.007729423065069523,0.005524230994765447,0.02265573962966454,0.016015265325734194,0.017805333424280985,0.02367284600164529,0.026612889164786917,0.023884313686717732,0.012423933513864241,0.00601042252489713,0.0054801918211703484,0.010853017331893085,0.012574322648621537,0.016712561770291342,0.03551268427123545,0.011181388843743275,0.004948663818064709,0.004727303732333567,0.031131517954555876,0.5032316146488045,0.42182727143105775,0.28666636910930104,0.03262489486810537,0.022293156282751046

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

PQUQBWAOWNGATH

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413997

94.01796,95.875038,96.668518,98.451035,98.984291,104.107201,114.998459,116.401878,116.78466,118.105087,124.999977,162.655334,166.061844,183.73053,183.737244,183.790741,183.797821,183.805832,183.813187,183.820007,183.866089,183.873322,183.8806,183.888702,183.895569,183.903641,183.910934,183.933823,183.94136,183.948349,183.971542,183.978745,183.986526,183.993942,184.001617,184.009216,184.016342,184.024277,184.031723,184.039352,184.046616,184.073502,184.09967,184.107117,184.1147,184.130096,184.137131,184.144974,184.152512,184.159973,184.167679,184.175064,184.182678,184.197998,184.20546,184.212448,184.228149,184.235519,184.24324,184.250824,184.257874,184.273621,184.280548,184.288696,184.295837,184.311356,184.318756,184.326477,184.332962,184.341537,184.348892,184.356781,184.363922,184.371857,184.378952,184.424988,184.4319,185.077301,206.34346,246.695526,292.684784,340.704224,346.468597,388.12384,395.223572,496.342072,506.367126,513.583435,524.371155,560.404907,588.434387,606.442322,661.614746,709.694397,818.129272,843.702942,844.677063,845.664246,846.678711

0.00029416070724891234,0.00032260672311470626,0.000388669158340392,0.0003835523892444117,0.005415898717264634,0.007297851872480508,0.00036621889420384863,0.00032827298302178567,0.0003517401548065425,0.000371470856973572,0.03093254809331343,0.000417898323284097,0.0006920001507767211,0.0011544738261337047,0.000677152163368667,0.0013720450565207758,0.0009737172430138981,0.0008281937808781843,0.0018697591518696917,0.0010536229615907555,0.0019424681001546428,0.0014331888426190817,0.0017187097646974953,0.002199981790415696,0.0014939488264129953,0.00227813448688777,0.0019517376523630514,0.002650854592971571,0.002533944365479557,0.0023453574592161427,0.0035926028606266124,0.003090314974981593,0.004194629440569338,0.00411711814634006,0.004725572240816142,0.0053872915265492,0.004706533326678582,0.006296356583409144,0.007158042705336235,0.007693550348293422,0.006206984856664463,1.0,0.006977637827403895,0.006922334777848264,0.006641795312885406,0.006418908506740628,0.00478458461632187,0.004574765379768063,0.0044176625509283335,0.003673978575720978,0.0037802031766147556,0.0033121111169782226,0.003012784527929418,0.0032123297268281054,0.0027095542762038244,0.0018983336899411755,0.0022205902998648393,0.0020288654554859458,0.0017572647984016381,0.002376488656101205,0.0015200095635520263,0.0019334840862645381,0.001237971690465036,0.002008922835190676,0.0013961304141481288,0.0015296837966221354,0.001210034393327439,0.0016572576765323346,0.0006720811532393809,0.001634759181848219,0.0013370604258606512,0.0011630647737919195,0.0008052217714191152,0.0015187590979404912,0.0008061234380725206,0.00117547304854054,0.0007091584207633369,0.006062532360614516,0.00038740413329144374,0.0003804746512263588,0.0004005048261812042,0.00041984065922540147,0.00047400347670543865,0.0004067552716195212,0.0003585830620999966,0.0010249442699179787,0.0008940992591445961,0.000416794905161362,0.002437806530480567,0.001012311047874904,0.0007325690985360432,0.0008965202124794421,0.0016382052625737217,0.00034943838516524235,0.0003921567981454142,0.0006298118864297656,0.003639907388372784,0.0016347800604055267,0.002319886007655053

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

PQUQBWAOWNGATH

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0413999

92.383476,95.952675,98.984077,99.942039,104.106918,105.320992,108.213699,122.361382,124.999649,129.269287,156.143921,166.063095,168.242752,183.850815,183.858124,183.874557,183.880783,183.887924,183.896057,183.903152,183.911026,183.918777,183.925812,183.941467,183.948593,183.979019,183.986343,183.994125,184.00145,184.009186,184.016647,184.024109,184.031693,184.04686,184.073044,184.099472,184.107254,184.114777,184.122162,184.129959,184.13736,184.144897,184.167664,184.175064,184.198029,184.20517,184.21315,184.220596,184.227982,184.235535,184.2435,184.250214,184.258636,184.265533,184.272781,184.288879,184.295898,184.33429,184.341232,184.394791,184.40181,184.417633,184.424408,184.637558,184.644943,184.651566,185.077026,186.077789,298.876953,325.704987,330.177124,392.691803,467.99057,496.33725,524.36615,560.406799,588.437805,661.615784,755.998596,844.684692,846.395142,846.944641

0.00039071876076924943,0.0003547158061255268,0.006221742715591769,0.00037624562333245335,0.00929025058901201,0.0004414860237368001,0.00038929714961276514,0.0003699216096211156,0.03368636391982602,0.00039468204227811074,0.0003899403862888603,0.0005006663020743822,0.0003494081074401491,0.0012708471770265257,0.0018460796590887142,0.0015485037859715837,0.0028600105692800455,0.001430563344211338,0.002440532786015664,0.0016206054642286332,0.0020938683566948764,0.0023832863257586827,0.0021954913452256718,0.0022483779891523726,0.0033253218922280133,0.0035570499659494845,0.004201616940961111,0.003971496206103933,0.004960426879254148,0.004567588401527642,0.006000510712366503,0.006132372493919197,0.006974254467650524,0.005832725636249362,1.0,0.007353780741622706,0.006917099902875547,0.006838953193938364,0.006802759820292522,0.005140723196697075,0.005471905476759223,0.004510701598715045,0.0034798133364106745,0.0034415730623027856,0.0022014581200450307,0.002837504918479351,0.0023223242938418343,0.0026025602302854945,0.0021029973776893096,0.0020685312910618263,0.0025188861179390996,0.0016797237382364756,0.002389213630309961,0.0016667553271103022,0.0017566477215376075,0.0013861929114503341,0.0016963548995844104,0.0010932861187315478,0.0014395884720555467,0.0010105525570079923,0.0011947335355727594,0.0008404393722025954,0.0009595066755354846,0.0005755425639369627,0.0004977993380084485,0.0007236669993298859,0.0020164593474484896,0.0008205577398184005,0.00043639701861114506,0.00044492285326976576,0.00042090819376749267,0.00046720586728768204,0.00046873078835239584,0.0008534769482219192,0.0012536492470997629,0.0011821073733853246,0.0005858278019612107,0.0011281526865732996,0.0005199225468894174,0.0025012870316320625,0.00039238786305897944,0.00038553333686633227

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

PQUQBWAOWNGATH

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0414001

98.9841,99.317177,99.851692,104.106972,112.190941,124.999702,131.318237,133.301926,143.455444,183.873718,183.880661,183.911209,183.918396,184.009171,184.016571,184.024185,184.031708,184.039185,184.047241,184.053741,184.07312,184.099228,184.107147,184.114822,184.122253,184.129807,184.137421,184.144852,184.160248,184.167542,184.175095,184.2435,184.250595,184.26651,184.273224,184.296448,184.303375,185.077072,186.077438,237.164169,286.548309,330.682159,339.040466,353.15097,394.880035,408.490112,506.358002,524.367615,560.404602,620.657104,633.735901,661.612122,844.67041

0.00629954781878737,0.0005382368939942355,0.0005181427495618017,0.007510379348200489,0.00048529076563636375,0.03141775845529643,0.0005969537675337604,0.0005797734466237082,0.000511273818099265,0.001040058279263333,0.0020757582928409603,0.0018286985406678706,0.002429707031693594,0.00487981862590641,0.005939162893345802,0.005324949433007599,0.0071946091617942414,0.007419848917206523,0.007823841292709152,0.004969592814985337,1.0,0.0053743658384115545,0.007017156718649441,0.00658934352181044,0.006906427832132919,0.005525732225581421,0.005304217114296944,0.004470422147579984,0.00306788252545458,0.004349156638115961,0.0027244983050776854,0.0013959431429658715,0.002454706572791605,0.0009903928595762887,0.0020537730604200453,0.0012998323336569548,0.00169461974024382,0.003528425427038204,0.001570708064049507,0.0005764197579572187,0.00045883094703307026,0.0005153404050060484,0.0006406330851969842,0.0005420036202378257,0.0005394991527619959,0.0006095676813984421,0.0007383088211038978,0.0019583555388537842,0.0010890834887222877,0.0005531895080743244,0.00046921841403988173,0.0014529329042049287,0.002586684014292511

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

PQUQBWAOWNGATH

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0414003

90.431931,91.952179,93.027512,97.547043,98.984009,101.819298,104.106819,105.616486,108.945831,111.832191,120.630386,122.331528,124.999588,166.060822,174.139175,183.859467,183.865372,183.911285,183.918472,183.926254,183.933517,183.941574,183.948456,183.964096,183.971161,183.994171,184.001495,184.009033,184.016708,184.024033,184.032028,184.039062,184.072891,184.099579,184.107361,184.114502,184.122452,184.129822,184.137375,184.144943,184.152374,184.160278,184.16745,184.198059,184.205231,184.220596,184.227844,184.25856,184.265869,184.272964,184.281479,184.288315,218.324509,235.828186,253.225082,264.266571,279.49939,301.252716,317.160156,395.65332,504.345154,571.239929,580.43042,608.470947,661.610168,760.599365,767.063171,768.363708,769.366882,788.335449,841.358154,841.409546,841.920593,843.469482,843.631836,843.761719,843.921265,844.055481,844.103333,844.394775,844.714478,844.866455,844.932678,845.09021,845.163513,845.397888

0.0005212458289818194,0.0004784366633426504,0.0004992665170040626,0.0005698972727674645,0.005624763593670942,0.0006070012656150986,0.00820600677784928,0.0005481775374443064,0.0006001731139810089,0.0005580342617982109,0.000506474894704007,0.0005023492975846028,0.02855380116854727,0.0006109115167830072,0.000552347077600224,0.0011039594146456484,0.002019028061050553,0.001942406506295163,0.002402197051220962,0.0020147765854329493,0.002687836725631113,0.002235874261405224,0.002982796795975812,0.002806618816813955,0.0035993872929571792,0.0037468990858136554,0.004893377291827342,0.005058916985592109,0.005473354550447268,0.0068327216446512,0.005732717622820763,0.007912256563229175,1.0,0.006713676474512327,0.006709364361764316,0.007838314342950056,0.005584344635578108,0.0057533421564187085,0.004741894179958638,0.004670737409330498,0.004365331518256709,0.0032870527005585334,0.003842678956422638,0.002270548852526662,0.0029571119775604338,0.0025918714908458556,0.001876753091482495,0.0014755467011185396,0.002233441118441413,0.0013617716457810375,0.0012202244121649172,0.0019442133259975733,0.0006217242758966247,0.0006556548684721152,0.0006511659303725027,0.0012223300978046754,0.0005603616739287416,0.0006072241435582038,0.0005770101388718321,0.0006091447055298203,0.0008641137760661004,0.0007247033621032672,0.002015709546345465,0.0014137240471781068,0.001372425186153098,0.0005670369865745767,0.0005979837645221031,0.007253573266656514,0.0015683114320942776,0.002733824280907211,0.0006243835585968394,0.0005570358190097706,0.0005902675067421857,0.000795975600214178,0.0009005336875457462,0.0010920477589416856,0.0009560245082502739,0.0012157911218309272,0.0011088077591381792,0.24266934061669507,0.003908358084384164,0.001602444322662095,0.0012617858727016393,0.001305564793853681,0.001319517564265679,0.06838980886087764

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOKTZAMOHSCUOQ

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0414005

98.984009,104.10685,115.321228,124.999519,141.907684,169.54454,171.112991,173.161102,183.826828,183.83342,183.849228,183.856705,183.863297,183.871567,183.879166,183.886673,183.894821,183.91011,183.924637,183.931992,183.938766,183.946487,183.955261,183.969818,183.977554,183.983643,183.992645,183.999603,184.007675,184.014557,184.02298,184.028687,184.038071,184.072693,184.098663,184.104782,184.113281,184.119751,184.12822,184.134979,184.143051,184.150055,184.158569,184.165329,184.173172,184.180664,184.188492,184.196152,184.202942,184.211533,184.217087,184.226318,184.233505,184.241882,184.24762,184.256027,184.264313,184.271866,184.287231,184.293457,184.302246,184.309326,184.316422,184.347809,185.076492,230.641251,232.559036,260.113586,316.986389,424.97821,504.341766,555.52356,562.419495,580.430176,651.433838,658.638062,665.975281,667.415344,730.194519,844.682922

0.005595406576738355,0.007373178086552217,0.000760295555398922,0.028750496264915694,0.0006918868189563336,0.0007845546391375029,0.0008925368500475461,0.0007712070142979444,0.0012004566939167326,0.0009143017741430978,0.0013293341064957432,0.001187107721833105,0.001031125367444453,0.0011449071367313516,0.0014256716998728507,0.0014245257876461406,0.0017812417037633285,0.0022082600020518445,0.0021338758889967208,0.002043334975645008,0.0017092083276790554,0.001873034841221605,0.0031718323929046314,0.002783865135626165,0.0030766209927264873,0.0025899808370772807,0.00378472989324138,0.0035400705089502307,0.004427391718926409,0.0041997446497152886,0.005645471040272589,0.004660018778640852,0.00702850196593286,1.0,0.0058411398557738975,0.00563848043611477,0.007010371173642478,0.005084182706964757,0.005323586277926594,0.004037903028778247,0.003823133878334655,0.003186259179307375,0.003822206468226386,0.002871762342483941,0.002663167841878546,0.0024510978805048944,0.0024904998235363617,0.002419301630664489,0.0019239473483673164,0.00217753617730344,0.0015380040542740446,0.0017857513759021656,0.0016050284120254137,0.0018791458021093863,0.0013359460058891448,0.0012628616384604944,0.0014232624181112145,0.0014615647456001357,0.00142593478470809,0.0010167963193221789,0.0013925754593384883,0.0011617062162608922,0.0009312647917791774,0.0010764663107460711,0.0013957795067396066,0.0007985278861462122,0.0006316472395292598,0.000660479929424578,0.0007390195667698526,0.0007034629706041929,0.0010383508859678674,0.0007689554852599559,0.0012479667380464383,0.0020976836274101333,0.0009197044398351802,0.000915042832628942,0.0008528310983362752,0.0006865247552021657,0.0007571111658213887,0.0012325831467317103

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOKTZAMOHSCUOQ

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0414006

184.007339,184.972534,403.375977,433.393951,476.500275,504.368713,506.502472,507.701721,522.573364,524.489868,550.382202,560.535278,562.459717,580.64856,608.673218,623.72467,659.969971,661.724121,664.914917,689.820557,704.056152,721.706177,782.222778,786.586304,809.230103,810.230957,815.994141,826.082397,826.995239,843.845947,844.828857,846.215942

1.0,0.012665752376498638,0.0008085452934879695,0.0005729615323096836,0.0028298514899163098,0.019816317767845412,0.00515264947871161,0.0014546710634930138,0.004306533651035345,0.001923247953518724,0.001897612402977591,0.00426835891019924,0.00841254896841907,0.0245702195410952,0.002838468043696985,0.0019267467875803371,0.0010193866383735185,0.00626084450582572,0.0008948649264186136,0.0017660930289530885,0.000853793711811888,0.0018186948266349459,0.002456631998101431,0.0006444937600801197,0.0008650978952194397,0.0023264745452944336,0.0013483003526900954,0.003445041363784222,0.0028410195151024322,0.014255183194445116,0.01667511839677962,0.0025731172452658968

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOKTZAMOHSCUOQ

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0414007

93.384918,94.117058,98.983894,103.48175,104.106743,105.042763,105.084381,111.794052,119.713417,124.999458,139.984497,152.056061,183.759644,183.797058,183.842117,183.847168,183.855927,183.865051,183.879456,183.88562,183.894821,183.900192,183.909637,183.915649,183.924728,183.931351,183.939819,183.946152,183.955063,183.960693,183.970291,183.985016,183.992142,183.999771,184.007584,184.014435,184.022842,184.029739,184.03743,184.045288,184.072556,184.097717,184.105606,184.112793,184.120087,184.128189,184.13504,184.143356,184.150391,184.157928,184.166138,184.172119,184.181137,184.188004,184.19632,184.203033,184.21106,184.218674,184.226044,184.233536,184.242279,184.257233,184.272171,184.286865,184.294037,184.302109,184.308548,184.32489,184.330933,184.377838,184.383194,184.416016,184.422531,185.075485,242.671265,266.281799,284.121735,358.008301,414.899353,449.736023,469.977966,504.334564,562.423462,580.431885,611.725098,661.608093,713.355713,793.441528,844.67627

0.0005158707957929166,0.000601829439388173,0.004838709033812688,0.0006442019911477532,0.008459996806459598,0.0006490913033879401,0.0006250825203037915,0.0005292567305145462,0.0005777782358883573,0.028639718641100126,0.0007390336129267339,0.0007162707148331057,0.001293338015597013,0.0012470894135718682,0.0016656898668224302,0.00095434794024088,0.0010769873757534977,0.001829039493254904,0.0023258125346931917,0.0013580293381318732,0.0019842935143672097,0.0014422038346041568,0.002087799630309913,0.0014817894671775903,0.0021093796303721032,0.0017607433452439362,0.002335393135358076,0.0019082825331563499,0.0028797876029912537,0.0021085525678592003,0.0036288494866467667,0.0035094970449009405,0.0033986710394261653,0.003750942240281972,0.004466624036376133,0.004192326755757009,0.005961763459026769,0.0054155584349013675,0.00609379678955528,0.006347596023923474,1.0,0.004467240560601462,0.00694508260303507,0.005982905266938876,0.005177276100187012,0.005383360417304858,0.004127261194046023,0.004519666826067288,0.0035365920830689877,0.0031642406000825614,0.0035154138358922393,0.002455372959479671,0.0029293677357250148,0.002356035282722835,0.002664564006070855,0.001993516714968981,0.002004558937790696,0.001911627406403646,0.001755359525352378,0.0016560444851169915,0.0023241046708967665,0.0018266398342811467,0.0024234846762922024,0.0013023163549842722,0.0011250987086853614,0.0011932753246990649,0.0009256574847825802,0.0013236111895655318,0.0008449459213527072,0.0009280829089900349,0.0005990064491763762,0.0009108664273364495,0.0007493203176994147,0.0015649006895812206,0.0005922728096870599,0.0007209269440413363,0.0007961724231020782,0.0006534104228030017,0.000759377482185685,0.0007557606480478574,0.0006572468591089163,0.0010580756367410925,0.0008972192521149008,0.0027534329196800844,0.0006471431792914,0.0014423469233434405,0.0007848286555140254,0.0006743534707985443,0.0015908500974259737

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOKTZAMOHSCUOQ

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0414009

90.060982,93.74102,96.259254,98.984215,100.180977,104.106888,124.999702,137.060226,144.512207,148.983383,152.175583,157.875107,163.698715,183.639725,183.790009,183.826752,183.833496,183.842056,183.849823,183.864883,183.870163,183.879944,183.885345,183.89418,183.902802,183.917221,183.924545,183.932999,183.947708,183.954849,183.961761,183.970001,183.977798,183.984634,183.992645,183.999725,184.007996,184.015182,184.022583,184.030533,184.03772,184.045105,184.072891,184.098465,184.105652,184.113358,184.120178,184.128403,184.135269,184.143127,184.151184,184.158478,184.164627,184.173782,184.181351,184.188873,184.204239,184.211533,184.226837,184.234253,184.249374,184.25705,184.263718,184.271622,184.278992,184.287689,184.302414,184.309875,184.316742,184.324493,184.347839,184.353516,184.378448,184.38559,192.764755,239.945908,289.792816,337.255066,356.37561,374.728149,426.846924,487.822021,499.708679,504.345184,562.429199,580.436157,661.611877,778.955994,844.682556

0.0007635810580591319,0.0006274020573995437,0.0006453656264819432,0.0049011017864572055,0.0006664027095065059,0.007161244570658844,0.028375910128729823,0.000695771461654739,0.0006936012297349138,0.0005932600231832545,0.0006829358616020385,0.000626352709444163,0.0007423399195859433,0.0009331389908426561,0.001215372622604629,0.0009620573193291734,0.0008515379508380345,0.0013411314057871688,0.0013267921279177008,0.001765861230890336,0.0011011164330954465,0.0014997078926554635,0.0011144424356631436,0.0013268381949729162,0.002172307046163271,0.0017007737594070273,0.0017891231366220196,0.0024957340881121607,0.0024105142364218156,0.002273557674060399,0.0021776664674463967,0.002769145749854429,0.0032680295584417095,0.002867883990628612,0.0033798707712276613,0.0033989728292921958,0.004686016270879164,0.0044901669562149036,0.004745352851378215,0.0058280829931834244,0.005778081615820473,0.005452958002067292,1.0,0.004734523609887921,0.006305117555683659,0.006434522547564532,0.00506495164849232,0.005070648151719397,0.003947446251465579,0.0037944950362565656,0.0040188991137745855,0.0033098614154253845,0.00249234216247646,0.0030432877898893913,0.002939149945948687,0.0024573325124155926,0.0025002535440912005,0.002088902688517722,0.0019507197646180645,0.0017018858663193197,0.0016397141236226891,0.0016039414223828546,0.0012162885887100293,0.001102229960595117,0.001134154224335601,0.0017351415126138432,0.0011735738445674585,0.0011376951075768678,0.0010419763992557086,0.0009545907802299788,0.0011491535620459616,0.000726656625992759,0.0010749828363701955,0.0008331351199706407,0.0007247743142590315,0.0006615788448854074,0.0007867475315320109,0.000622165211236522,0.0007248480318547394,0.0005975797868869561,0.0008375333195901826,0.0006588576330803181,0.0007153849263958683,0.0010875022570215793,0.0011269718002183664,0.0022833791195683213,0.0008865094482776105,0.0006805988139466935,0.002138521525556234

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOKTZAMOHSCUOQ

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train

MassSpecGymID0414011

98.983955,103.215431,104.106827,104.370232,110.942719,120.486893,124.999535,140.393875,140.655029,142.282318,158.694992,183.811966,183.819687,183.841949,183.864548,183.871628,183.87851,183.886246,183.894501,183.902054,183.908813,183.916565,183.924515,183.931946,183.939224,183.947678,183.962418,183.968964,183.977737,183.983902,183.992493,183.999481,184.007706,184.014664,184.022964,184.028702,184.037964,184.044632,184.072662,184.098236,184.105331,184.113037,184.119919,184.128265,184.134811,184.143097,184.150543,184.1586,184.173569,184.181091,184.187881,184.196152,184.202698,184.211731,184.2267,184.232864,184.240555,184.249283,184.256744,184.271988,184.277527,184.287476,184.325226,184.355316,184.37056,185.075989,227.527939,241.554108,257.465668,336.308075,370.525604,416.781525,447.522705,538.497681,580.436768,600.681946,844.681885

0.006408949736421421,0.0008441010759620142,0.009673538646614395,0.0006795741250523351,0.0006492387952936476,0.0008256719341148708,0.02756734315219046,0.0008583838089483499,0.0007216946670536293,0.0006957840549233053,0.0007009240011133102,0.0012564091443687437,0.001129798539137137,0.001301732504615004,0.0015529456157462034,0.0013504448223937123,0.0011179780739732806,0.0011538454337627984,0.001805388815276139,0.001722929094983443,0.0015277445985422298,0.0015505542027461651,0.0018601305415730978,0.0018758209649640315,0.0019331598156853043,0.002582300284988391,0.0026151149576085714,0.002349790327046778,0.0036020942978533094,0.0027868696946484984,0.003485271433601035,0.003452935090206676,0.004539500025929661,0.004345784898469912,0.00564188094931108,0.0047039364913599516,0.007136914950947741,0.005785451675674647,1.0,0.00457204219731283,0.005804588553838541,0.006543587627507327,0.005002588970378335,0.005382683762322536,0.003908765002569177,0.003967184797843794,0.0036591039631941537,0.0036582179278632056,0.0030249504786282497,0.0028002845126175162,0.002195737480969056,0.0022247961440927952,0.0019298936343870134,0.0025950755499942906,0.0020593605074601304,0.0014112201383073878,0.00121281847833327,0.0019890793602272295,0.0016799070109998857,0.0014654084987439577,0.000989650339702356,0.0016900307904026946,0.001251288305722605,0.000942454201794618,0.001278192397137746,0.0014349003292353365,0.0009433580669794086,0.0008124407583355536,0.0007495492021276596,0.0008536451804133521,0.0006647092200167472,0.0009212988864518708,0.0007329890051098086,0.0007487458695714231,0.0022204026721824688,0.0009949975657043354,0.0023126892779659724

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOKTZAMOHSCUOQ

C48H94NO8P

C48H95NO8P

[M+H]+

Orbitrap

train