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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3',5'-Cyclic AMP3',5' cyclic AMPME810053--0.761330.058
4-Acetamidobutanoate4-Acetamidobutanoic acidME810076--0.651146.081
5-10-Methenyltetrahydrofolate5,10-Methenyl-THFME810066--0.651457.169
5-6-DihydrothymineDihydrothymineME810054--0.655129.066
5-Hydroxyisourate5-Hydroxyisouric acidME810051--0.625185.031
6-Hydroxykynurenic acid6-Hydroxykynurenic acidME810081--1.712206.045
AC(10:0)CAR 10:0ME810097--1.889316.248
AC(12:0)CAR 12:0ME810098--1.932344.279
AC(14:0)CAR 14:0ME810099--1.991372.310
AC(14:1)CAR 14:1ME810100--1.96370.295
AC(16:0)CAR 16:0ME810101--2.044400.342
AC(16:1)CAR 16:1ME810102--1.994398.327
AC(18:0)CAR 18:0ME810103--2.112428.373
AC(18:1)CAR 18:1ME810104--2.052426.357
AC(18:2)CAR 18:2ME810105--2.017424.342
AC(2:0)CAR 2:0ME810089--0.661204.123
AC(20:4)CAR 20:4ME810106--2.005448.341
AC(3:0)CAR 3:0ME810090--0.669218.139
AC(4:0)CAR 4:0ME810091--1.685232.154
AC(4-DC)-ME810093--0.666262.129
AC(4-OH)CAR 4:0;OHME810092--0.662248.149
AC(5:0)CAR 5:0ME810094--1.715246.170
AC(5-OH)CAR 5:0;OHME810095--0.669262.165
AC(8:0)CAR 8:0ME810096--1.838288.217
AcetylcholineAcetylcholineME810087--0.652146.117
AdenineAdenineME810045--0.737136.062
AllantoateAllantoic acidME810052--0.586177.061
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME810072--0.648260.053
CarnosineCarnosineME810073--0.593227.114
CholineCholineME810086--0.623104.107
CreatineCreatineME810074--0.639132.077
CreatinineCreatinineME810075--0.644114.066
Cys-GlyCys-GlyME810061--0.692179.048
CytosineCytosineME810047--0.681112.051
DopamineDopamineME810085--0.666154.085
D-RhamnoseRhamnoseME810060--0.634165.077
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME810063--0.624313.031
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME810062--0.705251.069
glycineGlycineME810032--0.65276.040
g-Oxalo-crotonate4-Oxalocrotonic acidME810084--0.677159.028
GuanidinoacetateGuanidoacetic acidME810078--0.669118.061
GuanineGuanineME810046--0.707152.057
HypoxanthineHypoxanthineME810049--0.688137.046
Indole-3-acetateIndoleacetic acidME810079--1.884176.071
IndolepyruvateIndolepyruvateME810080--0.656204.063
L-alanineAlanineME810028--0.62190.056
L-arginineArginineME810029--0.614175.119
L-asparagineAsparagineME810030--0.634133.061
L-CarnitineCarnitineME810088--0.627162.112
L-CitrullineCitrullineME810068--0.662176.103
L-cysteineCysteineME810031--1.711122.027
L-cystineCystineME810044--0.696241.029
L-histidineHistidineME810033--0.605156.077
L-leucine/isoluecine-ME810034--0.821132.102
L-lysineLysineME810035--0.598147.113
L-methionineMethionineME810036--0.664150.058
L-phenylalaninePhenylalanineME810037--1.062166.086
L-prolineProlineME810038--0.657116.071
L-serineSerineME810039--0.628106.050
L-threonineThreonineME810040--0.627120.066
L-tryptophanTryptophanME810041--1.695205.097
L-TryptophanamideTryptophanamideME810082--0.549204.111
L-tyrosineTyrosineME810042--0.665182.081
L-valineValineME810043--0.693118.086
Mannitol/Sorbitol/Glucitol/Iditol-ME810059--0.673183.085
N-Acetyl-L-ornithineN-AcetylornithineME810077--0.64175.108
NAD+NADME810058--0.655664.114
NicotinamideNiacinamideME810057--0.754123.056
OrnithineOrnithineME810067--0.626133.097
Picolinic acidPicolinic acidME810083--0.543124.040
PutrescinePutrescineME810069--0.55989.108
PyridoxalPyridoxalME810055--0.674168.065
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME810056--1.711249.061
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME810064--0.653385.129
S-Adenosyl-L-methionineS-AdenosylmethionineME810065--0.617399.144
SpermidineSpermidineME810070--0.57146.165
SpermineSpermineME810071--0.575203.223
SphingosineSphingosineME810107--1.979300.289
ThymineThymineME810048--0.659127.050
XanthineXanthineME810050--0.563153.039


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Hydroxyglutarate2-Hydroxyglutaric acidME810131--0.565147.028
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione-ME810146--0.6159.029
4-Pyridoxate4-Pyridoxic acidME810117--0.634182.043
5-6-DihydrouracilDihydrouracilME810143--0.598113.034
5-OxoprolinePyroglutamic acidME810135--0.597128.034
6-Phospho-D-gluconate6-Phosphogluconic acidME810132--0.557275.017
ATPATPME810110--0.554505.989
CitrateCitric acidME810127--0.573191.019
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME810141--0.54613.140
CytidineCytidineME810111--0.611242.078
DehydroascorbateL-Dehydroascorbic acidME810137--0.571173.008
D-GlucoseGlucoseME810121--0.619179.055
D-Hexose-phosphate-ME810122--0.575259.022
DimethylglycineDimethylglycineME810138--0.592102.055
DiphosphatePyrophosphateME810120--0.57176.935
FA(16:1)Hexadecenoic acidME810149--2.613253.217
FA(18:0)Stearic acidME810148--3.461283.264
FA(20:3)Eicosatrienoic acidME810153--2.774305.248
FA(20:4)Arachidonic acidME810150--2.557303.233
FA(20:5)Eicosapentaenoic acidME810151--2.419301.217
FA(22:5)Docosapentaenoic acidME810154--2.593329.250
FA(22:6)DHAME810152--2.466327.233
FumarateFumaric acidME810129--0.567115.002
GlutathioneGlutathioneME810133--0.609306.078
Glutathione disulfideOxidized glutathioneME810134--0.55611.143
Glycerol 3-phosphatesn-Glycero-3-phosphateME810147--0.585171.005
IMPIMPME810115--0.595347.040
IndoleIndoleME810145--1.686116.049
InosineInosineME810116--0.586267.072
ITPITPME810114--0.587506.969
LactateLactic acidME810125--0.6589.023
L-aspartateAspartic acidME810108--0.588132.029
L-glutamateGlutamic acidME810109--0.586146.045
L-SelenomethionineSelenomethionineME810144--0.684195.991
MalateD-Malic acidME810130--0.569133.013
N-AcetylneuraminateN-Acetylneuraminic acidME810139--0.597308.099
PhosphatePhosphoric acidME810119--0.58596.968
PhosphoenolpyruvatePhosphoenolpyruvic acidME810123--0.536166.974
PyruvatePyruvic acidME810124--0.60987.007
Ribose/Ribulose/Arabinose/Xylose/Xylulose-ME810126--0.585149.045
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME810136--0.58425.081
Sphinganine 1-phosphateSphinganine 1-phosphateME810155--3.812380.257
SuccinateSuccinic acidME810128--0.582117.018
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME810142--0.582130.050
UDP-glucoseUDP-glucoseME810118--0.547565.048
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME810140--0.55606.074
UMPUMPME810112--0.588323.028
UracilUracilME810113--0.603111.019


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AcCa(12:0)CAR 12:0ME810168--0.762344.280
AcCa(14:0)CAR 14:0ME810156--1.232372.311
AcCa(15:0)CAR 15:0ME810167--1.445386.326
AcCa(16:0)CAR 16:0ME810161--1.618400.342
AcCa(16:1)CAR 16:1ME810171--1.357398.326
AcCa(17:0)CAR 17:0ME810162--1.716414.358
AcCa(17:1)CAR 17:1ME810170--1.550412.342
AcCa(18:0)CAR 18:0ME810158--1.929428.373
AcCa(18:1)CAR 18:1ME810157--1.702426.358
AcCa(18:2)CAR 18:2ME810166--1.480424.342
AcCa(2:0)CAR 2:0ME810160--0.240204.123
AcCa(20:2)CAR 20:2ME810164--1.791452.373
AcCa(20:3)CAR 20:3ME810163--1.611450.358
AcCa(22:5)CAR 22:5ME810165--1.554474.358
AcCa(26:0)CAR 26:0ME810159--2.799540.499
AcCa(4:0)CAR 4:0ME810169--0.259232.154
Cer(d16:1_16:0)Cer 16:1;O2/16:0ME810177--2.928492.478
Cer(d18:0_24:0)Cer 18:0;O2/24:0ME810180--3.424634.650
Cer(d18:1_16:0)Cer 18:1;O2/16:0ME810172--3.061520.509
Cer(d18:1_18:0)Cer 18:1;O2/18:0ME810182--3.150566.551
Cer(d18:1_22:2)Cer 18:1;O2/22:2ME810176--3.206618.582
Cer(d18:1_24:0)Cer 18:1;O2/24:0ME810183--3.121650.645
Cer(d18:1_24:1)Cer 18:1;O2/24:1ME810181--3.346648.629
Cer(d18:2_16:0)Cer 18:2;O2/16:0ME810174--2.962536.504
Cer(d18:2_18:0)Cer 18:2;O2/18:0ME810175--3.080546.524
Cer(d18:2_22:0)Cer 18:2;O2/22:0ME810178--3.284620.598
Cer(d18:2_23:0)Cer 18:2;O2/23:0ME810179--3.307634.613
Cer(d18:2_24:1)Cer 18:2;O2/24:1ME810173--3.297628.603
Ch-ME810184--2.630369.352
DG(16:0_18:0)DG 16:0_18:0ME810185--3.337614.572
DG(16:0_18:1)DG 16:0_18:1ME810188--3.263612.556
DG(16:0_18:2)DG 16:0_18:2ME810191--3.196610.541
DG(16:0_20:4)DG 16:0_20:4ME810192--3.166634.541
DG(18:0_20:4)DG 18:0_20:4ME810189--3.269662.572
DG(18:1_18:1)DG 18:1_18:1ME810187--3.282638.572
DG(18:1_18:2)DG 18:1_18:2ME810186--3.206636.556
DG(O-26:4)DG O-26:4*ME810190--2.273463.378
Hex1Cer(d18:1_16:0)HexCer 18:1;O2/16:0ME810193--3.026700.572
LPC(14:0)LPC 14:0ME810216--1.345468.308
LPC(15:0)LPC 15:0ME810217--1.533482.324
LPC(15:1)LPC 15:1ME810205--1.774480.308
LPC(16:0)LPC 16:0ME810194--1.635496.340
LPC(16:1)LPC 16:1ME810219--1.455494.324
LPC(17:0)LPC 17:0ME810195--1.750510.355
LPC(18:0)LPC 18:0ME810196--1.895524.371
LPC(18:1)LPC 18:1ME810223--1.769522.355
LPC(18:2)LPC 18:2ME810221--1.502520.340
LPC(19:0)LPC 19:0ME810208--2.102538.387
LPC(20:0)LPC 20:0ME810202--2.046552.402
LPC(20:2)LPC 20:2ME810214--1.857548.371
LPC(20:3)LPC 20:3ME810199--1.623546.355
LPC(20:4)LPC 20:4ME810222--1.496544.340
LPC(22:4)LPC 22:4ME810209--1.808572.371
LPC(23:1)LPC 23:1*ME810210--2.333592.434
LPC(24:1)LPC 24:1ME810204--2.465606.449
LPC(30:0)LPC 30:0ME810201--2.960692.559
LPC(O-16:0)LPC O-16:0ME810218--1.834482.361
LPC(O-17:0)LPC O-17:0ME810197--1.930496.376
LPC(O-17:1)LPC O-17:1ME810198--1.924494.361
LPC(O-18:0)LPC O-18:0ME810220--2.114510.392
LPC(O-18:1)LPC O-18:1ME810213--2.105508.376
LPC(O-22:0)LPC O-22:0ME810215--2.575566.454
LPC(P-15:0)LPC P-15:0ME810207--1.594466.329
LPC(P-16:0)LPC P-16:0ME810206--1.806480.345
LPC(P-17:0)LPC P-17:0ME810211--1.915494.361
LPC(P-18:0)LPC P-18:0ME810200--1.898508.376
LPC(P-18:1)LPC P-18:1ME810212--1.867506.361
LPC(P-21:5)-ME810203--2.004562.327
LPE(16:1)LPE 16:1ME810225--1.486452.277
LPE(18:2)LPE 18:2ME810226--1.603478.293
LPE(20:5)LPE 20:5ME810227--1.337500.277
LPE(22:6)LPE 22:6ME810224--1.512526.293
LPG(18:2)LPG 18:2ME810228--1.328509.287
LPS(20:4)LPS 20:4ME810229--1.234546.283
PA(21:2_4:0)PA 4:0_21:2*ME810243--1.913564.366
PA(22:5_14:0)PA 14:0_22:5ME810232--2.815712.491
PA(22:5_16:0)PA 16:0_22:5ME810233--3.033740.522
PA(22:6_16:0)PA 16:0_22:6ME810240--2.562738.507
PA(22:6_18:0)PA 18:0_22:6ME810237--2.700766.538
PA(30:1_19:3)PA 19:3_30:1*ME810235--3.318896.710
PA(O-18:2_20:5)PA O-18:2/20:5ME810234--2.721722.512
PA(O-18:2_22:5)PA O-18:2/22:5ME810242--3.035750.543
PA(O-19:2_20:4)PA O-19:2/20:4*ME810236--3.070738.543
PA(O-20:2_20:4)PA O-20:2/20:4ME810230--3.781752.559
PA(O-20:2_22:4)PA O-20:2/22:4ME810231--3.327780.590
PA(O-20:2_22:5)PA O-20:2/22:5ME810239--3.121778.575
PA(O-20:3_16:1)PA O-20:3/16:1*ME810244--3.027700.528
PA(O-20:3_18:2)PA O-20:3/18:2*ME810238--3.040726.543
PA(O-20:3_20:5)PA O-20:3/20:5*ME810241--2.680748.528
PC(14:1_22:3)PC 14:1_22:3*ME810249--3.144782.569
PC(17:3_16:0)PC 16:0_17:3*ME810262--2.973742.538
PC(17:3_23:5)PC 17:3_23:5*ME810297--2.825830.569
PC(18:1_16:0)PC 16:0_18:1ME810245--3.008782.567
PC(18:3_16:0)PC 16:0_18:3ME810344--2.470756.554
PC(19:2)PC 19:2ME810399--1.569548.335
PC(19:4_16:0)PC 16:0_19:4*ME810276--3.063768.554
PC(19:4_18:1)PC 18:1_19:4*ME810314--3.073794.569
PC(20:0)PC 20:0ME810355--1.987566.382
PC(20:1)PC 20:1ME810336--2.133564.366
PC(21:4)PC 21:4ME810337--1.553572.335
PC(22:0)PC 22:0ME810372--2.232594.413
PC(22:1)PC 22:1ME810365--2.170592.397
PC(22:6_16:0)PC 16:0_22:6ME810292--2.889828.551
PC(22:6_16:1)PC 16:1_22:6ME810290--2.791804.554
PC(22:7_18:0)PC 18:0_22:7*ME810322--3.031832.585
PC(23:0)PC 23:0ME810366--2.281608.429
PC(24:0)PC 24:0ME810338--2.381622.444
PC(25:0)PC 25:0ME810339--2.484636.460
PC(26:0)PC 26:0ME810340--2.568650.476
PC(26:1)PC 26:1ME810374--2.420648.460
PC(26:2)PC 26:2ME810400--2.269646.444
PC(28:0)PC 28:0ME810254--2.700678.507
PC(29:1)PC 29:1ME810391--2.941690.507
PC(30:0)PC 30:0ME810256--2.853706.538
PC(30:1)PC 30:1ME810255--2.746704.522
PC(31:0)PC 31:0ME810257--2.913720.554
PC(31:1)PC 31:1ME810375--2.838718.538
PC(31:2)PC 31:2ME810393--2.959716.522
PC(32:0)PC 32:0ME810251--2.984734.569
PC(32:1)PC 32:1ME810305--2.890732.554
PC(32:2)PC 32:2ME810259--2.788730.538
PC(32:3)PC 32:3ME810342--2.754728.522
PC(33:1)PC 33:1ME810328--2.951746.569
PC(33:2)PC 33:2ME810306--2.352744.554
PC(33:3)PC 33:3ME810261--2.421742.538
PC(33:4)PC 33:4ME810377--2.898740.522
PC(33:7)PC 33:7*ME810404--2.704734.476
PC(34:0)PC 34:0ME810247--3.093762.601
PC(34:1)PC 34:1ME810246--3.114760.585
PC(34:2)PC 34:2ME810270--2.554758.569
PC(34:3)PC 34:3ME810345--2.625756.554
PC(34:4)PC 34:4ME810269--2.778754.538
PC(34:5)PC 34:5ME810343--2.679752.522
PC(35:1)PC 35:1ME810309--3.059774.601
PC(35:2)PC 35:2ME810279--2.976772.585
PC(35:3)PC 35:3ME810379--2.893770.569
PC(35:4)PC 35:4ME810275--2.848768.554
PC(35:5)PC 35:5ME810274--2.754766.538
PC(35:6)PC 35:6ME810271--2.571764.522
PC(35:7)PC 35:7ME810369--2.805762.507
PC(36:1)PC 36:1ME810253--3.121788.616
PC(36:2)PC 36:2ME810250--3.040786.601
PC(36:3)PC 36:3ME810286--2.591784.585
PC(36:4)PC 36:4ME810248--2.844782.569
PC(36:5)PC 36:5ME810380--2.756780.554
PC(36:6)PC 36:6ME810282--2.691778.538
PC(37:1)PC 37:1ME810333--3.167802.632
PC(37:2)PC 37:2ME810289--3.089800.616
PC(37:3)PC 37:3ME810318--3.205798.601
PC(37:4)PC 37:4ME810315--2.797796.585
PC(37:5)PC 37:5ME810313--2.886794.569
PC(37:6)PC 37:6ME810312--2.801792.554
PC(37:7)PC 37:7ME810347--2.941790.538
PC(37:8)PC 37:8ME810311--2.866788.522
PC(38:1)PC 38:1ME810381--3.140816.648
PC(38:2)PC 38:2ME810295--3.144814.632
PC(38:3)PC 38:3ME810370--3.067812.616
PC(38:4)PC 38:4ME810252--3.036810.601
PC(38:5)PC 38:5ME810319--2.940808.585
PC(38:6)PC 38:6ME810293--2.963806.569
PC(38:8)PC 38:8ME810383--2.834802.538
PC(39:4)PC 39:4ME810394--3.070824.616
PC(39:5)PC 39:5ME810382--2.993822.601
PC(39:6)PC 39:6ME810320--3.104820.585
PC(40:1)PC 40:1ME810324--3.294844.679
PC(40:3)PC 40:3ME810350--3.165840.648
PC(40:4)PC 40:4ME810299--3.072838.632
PC(40:5)PC 40:5ME810323--3.053836.616
PC(40:6)PC 40:6ME810349--3.014834.601
PC(40:7)PC 40:7ME810321--2.887832.585
PC(40:8)PC 40:8ME810298--2.938830.569
PC(42:10)PC 42:10ME810361--2.801854.569
PC(42:12)PC 42:12ME810384--1.795850.538
PC(42:2)PC 42:2ME810301--3.296870.695
PC(42:4)PC 42:4ME810362--3.179866.663
PC(42:5)PC 42:5ME810396--3.134864.648
PC(42:6)PC 42:6ME810353--3.055862.632
PC(42:7)PC 42:7ME810395--2.984860.616
PC(42:8)PC 42:8ME810352--2.924858.601
PC(42:9)PC 42:9ME810387--2.887856.585
PC(44:2)PC 44:2ME810302--3.401898.726
PC(44:8)PC 44:8ME810363--3.016886.632
PC(45:12)PC 45:12*ME810397--2.315892.585
PC(O-13:1_18:1)PC O-13:1/18:1*ME810406--3.105702.543
PC(O-13:1_20:4)PC O-13:1/20:4*ME810341--3.013724.528
PC(O-13:1_20:5)PC O-13:1/20:5*ME810304--2.940722.512
PC(O-13:1_22:5)PC O-13:1/22:5ME810268--3.038750.543
PC(O-14:1_22:3)PC O-14:1/22:3*ME810278--3.129768.590
PC(O-14:1_22:5)PC O-14:1/22:5ME810273--2.893764.559
PC(O-15:1_18:1)PC O-15:1/18:1ME810260--3.202730.575
PC(O-15:1_22:3)PC O-15:1/22:3*ME810285--3.202782.606
PC(O-15:1_22:6)PC O-15:1/22:6ME810317--3.076776.559
PC(O-15:2_20:5)PC O-15:2/20:5ME810308--2.980748.528
PC(O-15:2_22:3)PC O-15:2/22:3ME810310--3.167780.590
PC(O-15:2_22:6)PC O-15:2/22:6ME810280--2.893774.543
PC(O-16:0)PC O-16:0ME810398--1.704518.322
PC(O-16:2_18:2)PC O-16:2/18:2ME810367--2.883740.559
PC(O-17:1_22:4)PC O-17:1/22:4ME810294--3.069808.621
PC(O-18:4_17:1)PC O-18:4/17:1*ME810378--2.889752.559
PC(O-32:0)PC O-32:0ME810258--3.066720.590
PC(O-32:1)PC O-32:1ME810303--2.860718.575
PC(O-33:1)PC O-33:1ME810376--3.034732.590
PC(O-34:0)PC O-34:0ME810266--3.178748.621
PC(O-34:1)PC O-34:1ME810264--3.082746.606
PC(O-34:2)PC O-34:2ME810263--2.996744.590
PC(O-35:1)PC O-35:1ME810386--3.129760.621
PC(O-35:2)PC O-35:2ME810283--3.290780.588
PC(O-35:4)PC O-35:4ME810368--2.892754.575
PC(O-35:6)PC O-35:6ME810267--2.860750.543
PC(O-35:7)PC O-35:7ME810307--2.655748.528
PC(O-36:1)PC O-36:1ME810329--3.120774.637
PC(O-36:2)PC O-36:2ME810331--3.056772.621
PC(O-36:3)PC O-36:3ME810332--3.034770.606
PC(O-36:4)PC O-36:4ME810277--2.999768.590
PC(O-36:5)PC O-36:5ME810346--2.917766.575
PC(O-36:6)PC O-36:6ME810272--2.710764.559
PC(O-37:4)PC O-37:4ME810284--3.038782.606
PC(O-37:6)PC O-37:6ME810356--3.055778.575
PC(O-37:8)PC O-37:8ME810281--3.123774.543
PC(O-38:3)PC O-38:3ME810389--3.153798.637
PC(O-38:4)PC O-38:4ME810316--3.104796.621
PC(O-38:5)PC O-38:5ME810288--3.010794.606
PC(O-38:6)PC O-38:6ME810287--2.945792.590
PC(O-39:10)PC O-39:10ME810357--2.914820.525
PC(O-39:7)PC O-39:7ME810291--3.133804.590
PC(O-39:8)PC O-39:8ME810330--3.085802.575
PC(O-39:9)PC O-39:9ME810390--3.126800.559
PC(O-40:3)PC O-40:3ME810358--3.249826.668
PC(O-40:4)PC O-40:4ME810296--3.179824.653
PC(O-40:5)PC O-40:5ME810371--3.115822.637
PC(O-40:6)PC O-40:6ME810334--3.009820.621
PC(O-40:7)PC O-40:7ME810348--2.984818.606
PC(O-42:1)PC O-42:1ME810335--3.449858.731
PC(O-42:2)PC O-42:2ME810300--3.377856.715
PC(O-42:4)PC O-42:4ME810325--3.285852.684
PC(O-42:5)PC O-42:5ME810351--3.215850.668
PC(O-42:6)PC O-42:6ME810359--3.128848.653
PC(O-42:7)PC O-42:7ME810403--3.077846.637
PC(O-43:12)PC O-43:12ME810360--1.861850.575
PC(O-43:13)PC O-43:13*ME810405--3.031848.559
PC(O-44:4)PC O-44:4ME810327--3.382880.715
PC(O-44:5)PC O-44:5ME810354--3.295878.700
PC(O-44:6)PC O-44:6ME810326--3.229876.684
PC(O-44:7)PC O-44:7ME810401--3.176874.668
PC(O-45:12)PC O-45:12*ME810388--2.194878.606
PC(O-45:13)PC O-45:13*ME810373--2.077876.590
PC(O-49:12)PC O-49:12*ME810364--2.516934.668
PC(P-15:2_20:4)PC P-15:2/20:4*ME810265--2.975748.528
PC(P-17:3_20:4)PC P-17:3/20:4*ME810402--3.007774.543
PC(P-33:5)PC P-33:5ME810385--2.943722.512
PC(P-9:0_20:1)PC P-9:0/20:1*ME810392--2.891696.494
PE(16:1_16:0)PE 16:0_16:1ME810453--2.937690.507
PE(16:1_8:0)PE 8:0_16:1*ME810436--2.251578.382
PE(17:0)PE 17:0ME810430--1.750482.288
PE(18:0_22:6)PE 18:0_22:6ME810435--3.011792.554
PE(18:1_17:0)PE 17:0_18:1ME810414--3.089732.554
PE(18:3_16:0)PE 16:0_18:3ME810439--2.893714.507
PE(19:1)PE 19:1ME810450--1.835508.303
PE(20:4_14:0)PE 14:0_20:4ME810410--2.817712.491
PE(20:4_16:0)PE 16:0_20:4ME810418--3.035740.522
PE(20:4_17:0)PE 17:0_20:4ME810431--3.005754.538
PE(20:4_18:0)PE 18:0_20:4ME810422--3.147768.554
PE(20:4_18:1)PE 18:1_20:4ME810428--3.068766.538
PE(20:4_20:4)PE 20:4/20:4ME810407--2.864788.522
PE(20:5_16:0)PE 16:0_20:5ME810415--2.561738.507
PE(21:4)PE 21:4ME810451--1.611530.288
PE(22:6_16:0)PE 16:0_22:6ME810440--2.923764.522
PE(22:6_18:1)PE 18:1_22:6ME810433--2.913790.538
PE(22:7_18:0)PE 18:0_22:7ME810434--3.062790.538
PE(23:4)PE 23:4ME810449--1.853558.319
PE(23:5)PE 23:5*ME810452--1.684556.303
PE(25:1)PE 25:1ME810437--2.378592.397
PE(32:0)PE 32:0ME810408--3.011692.522
PE(34:1)PE 34:1ME810411--3.167718.538
PE(34:3)PE 34:3ME810438--2.552714.507
PE(36:4)PE 36:4ME810417--2.886740.522
PE(O-18:1_20:3)PE O-18:1/20:3ME810446--3.120754.575
PE(O-18:1_22:4)PE O-18:1/22:4ME810429--3.251780.590
PE(O-18:2_20:5)PE O-18:2/20:5ME810448--2.655748.528
PE(O-40:6)PE O-40:6ME810441--3.062778.575
PE(P-15:0_20:4)PE P-15:0/20:4ME810445--2.941710.512
PE(P-16:0_18:1)PE P-16:0/18:1ME810424--3.101702.543
PE(P-16:0_18:2)PE P-16:0/18:2ME810409--3.027700.528
PE(P-16:0_20:3)PE P-16:0/20:3ME810443--3.027726.543
PE(P-16:0_20:4)PE P-16:0/20:4ME810426--3.015724.528
PE(P-16:0_20:5)PE P-16:0/20:5ME810412--2.664722.512
PE(P-16:0_22:4)PE P-16:0/22:4ME810419--3.044752.559
PE(P-16:0_22:6)PE P-16:0/22:6ME810447--2.971748.528
PE(P-17:0_18:1)PE P-17:0/18:1ME810425--2.958716.559
PE(P-17:0_20:4)PE P-17:0/20:4ME810416--3.066738.543
PE(P-18:0_18:1)PE P-18:0/18:1ME810427--2.982730.575
PE(P-18:0_20:3)PE P-18:0/20:3ME810421--3.133754.575
PE(P-18:0_20:4)PE P-18:0/20:4ME810420--3.247752.559
PE(P-18:0_22:4)PE P-18:0/22:4ME810442--3.127780.590
PE(P-18:0_22:5)PE P-18:0/22:5ME810423--3.138778.575
PE(P-18:1_18:1)PE P-18:1/18:1ME810413--3.124728.559
PE(P-18:1_20:4)PE P-18:1/20:4ME810444--3.036750.543
PE(P-18:1_22:6)PE P-18:1/22:6ME810432--3.014774.543
PG(20:3_18:2)PG 18:2_20:3ME810470--2.643814.559
PG(20:6_16:0)PG 16:0_20:6*ME810465--2.664784.512
PG(20:6_17:0)PG 17:0_20:6*ME810468--2.735798.528
PG(20:6_18:0)PG 18:0_20:6*ME810454--2.793812.544
PG(20:6_18:1)PG 18:1_20:6*ME810471--2.702810.528
PG(20:6_18:2)PG 18:2_20:6*ME810457--2.592808.512
PG(20:6_20:2)PG 20:2_20:6*ME810466--2.786836.544
PG(20:6_22:3)PG 20:6_22:3*ME810464--2.768862.559
PG(20:6_22:4)PG 20:6_22:4*ME810461--2.677860.544
PG(20:6_22:6)PG 20:6_22:6*ME810460--2.563856.512
PG(21:6_18:0)PG 18:0_21:6*ME810455--2.816826.559
PG(22:4_18:2)PG 18:2_22:4ME810458--2.665840.575
PG(22:5_20:3)PG 20:3_22:5ME810462--2.660864.575
PG(22:6_18:0)PG 18:0_22:6ME810459--2.887840.575
PG(36:3)PG 36:3ME810456--2.709790.559
PG(36:4)PG 36:4ME810467--2.630788.544
PG(O-30:1_20:4)PG O-30:1/20:4*ME810463--3.733968.768
PG(O-30:3_20:4)PG O-30:3/20:4*ME810469--3.642964.736
PI(18:1_18:0)PI 18:0_18:1ME810476--2.786887.562
PI(18:2_18:0)PI 18:0_18:2ME810477--2.474885.546
PI(20:4_16:0)PI 16:0_20:4ME810473--2.643876.560
PI(20:4_18:0)PI 18:0_20:4ME810474--2.788904.591
PI(20:4_18:1)PI 18:1_20:4ME810475--2.479902.575
PI(34:2)PI 34:2ME810472--2.658852.560
PI(O-43:9)PI O-43:9*ME810478--2.649955.567
PS(10:0_18:0)PS 10:0_18:0ME810503--1.883680.450
PS(18:0_18:2)PS 18:0_18:2ME810479--2.346788.544
PS(18:0_20:3)PS 18:0_20:3ME810480--2.858814.559
PS(18:0_20:4)PS 18:0_20:4ME810481--2.796812.544
PS(18:0_22:5)PS 18:0_22:5ME810482--2.834838.559
PS(18:1_20:4)PS 18:1_20:4ME810483--2.700810.528
PS(18:3_18:0)PS 18:0_18:3ME810497--2.730786.528
PS(20:4_16:0)PS 16:0_20:4ME810489--2.665784.512
PS(20:4_17:0)PS 17:0_20:4ME810496--2.734798.528
PS(20:4_18:0)PS 18:0_20:4ME810486--2.886812.544
PS(20:4_18:2)PS 18:2_20:4ME810491--2.603808.512
PS(20:4_20:2)PS 20:2_20:4ME810495--2.769836.544
PS(20:4_20:4)PS 20:4/20:4ME810484--2.580832.512
PS(20:4_22:3)PS 20:4_22:3*ME810498--2.772862.559
PS(20:4_22:6)PS 20:4_22:6ME810485--2.566856.512
PS(20:5_18:0)PS 18:0_20:5ME810492--2.334810.528
PS(21:4_18:0)PS 18:0_21:4*ME810504--2.806826.559
PS(22:4_18:0)PS 18:0_22:4ME810493--2.888840.575
PS(34:1)PS 34:1ME810488--2.765762.528
PS(34:2)PS 34:2ME810500--2.666760.512
PS(36:2)PS 36:2ME810490--2.803788.544
PS(38:4)PS 38:4ME810487--3.125812.544
PS(4:0_18:0)PS 4:0_18:0*ME810502--1.771596.356
PS(40:7)PS 40:7ME810501--2.803834.528
PS(42:9)PS 42:9ME810499--2.643858.528
PS(O-38:4)PS O-38:4ME810494--2.594798.564
SM(d14:0_20:1)SM 14:0;O2/20:1ME810514--3.637703.575
SM(d30:1)SM 30:1;O2ME810518--2.527647.512
SM(d31:1)SM 31:1;O2ME810505--2.613661.528
SM(d32:0)SM 32:0;O2ME810531--2.760677.559
SM(d32:1)SM 32:1;O2ME810506--2.697675.544
SM(d33:1)SM 33:1;O2ME810519--2.779689.559
SM(d33:2)SM 33:2;O2ME810530--2.657687.544
SM(d34:1)SM 34:1;O2ME810507--2.847703.575
SM(d34:2)SM 34:2;O2ME810520--2.733701.559
SM(d34:4)SM 34:4;O2ME810539--2.723697.528
SM(d35:2)SM 35:2;O2ME810508--2.814715.575
SM(d36:0)SM 36:0;O2ME810523--3.035733.622
SM(d36:1)SM 36:1;O2ME810509--2.980731.606
SM(d36:2)SM 36:2;O2ME810522--2.888729.591
SM(d36:3)SM 36:3;O2ME810521--2.789727.575
SM(d38:1)SM 38:1;O2ME810517--3.095759.637
SM(d38:2)SM 38:2;O2ME810524--3.015757.622
SM(d38:3)SM 38:3;O2ME810532--2.910755.606
SM(d39:1)SM 39:1;O2ME810525--3.161773.653
SM(d40:1)SM 40:1;O2ME810510--3.208787.669
SM(d40:2)SM 40:2;O2ME810527--3.119785.653
SM(d40:3)SM 40:3;O2ME810526--3.022783.637
SM(d41:1)SM 41:1;O2ME810533--3.267801.684
SM(d42:1)SM 42:1;O2ME810511--3.313815.700
SM(d42:2)SM 42:2;O2ME810512--3.215813.684
SM(d42:3)SM 42:3;O2ME810515--3.141811.669
SM(d42:4)SM 42:4;O2ME810516--3.073809.653
SM(d42:5)SM 42:5;O2ME810536--3.148807.637
SM(d43:2)SM 43:2;O2ME810513--3.266827.700
SM(d44:1)SM 44:1;O2ME810529--3.405843.731
SM(d44:2)SM 44:2;O2ME810528--3.305841.716
SM(d44:3)SM 44:3;O2ME810535--3.234839.700
SM(d44:4)SM 44:4;O2ME810537--3.166859.666
SM(d44:5)SM 44:5;O2ME810534--3.111835.669
SM(d44:6)SM 44:6;O2ME810538--3.142833.653
SPH(d16:0)-ME810545--0.924274.274
SPH(d16:1)-ME810541--1.659272.258
SPH(d17:0)-ME810543--1.174288.290
SPH(d18:1)-ME810544--1.628300.290
SPH(d19:0)-ME810542--1.595316.321
SPH(d20:0)-ME810540--1.777330.337
TG(13:0_15:0_15:0)TG 13:0_15:0_15:0ME810559--3.591754.692
TG(14:0_14:0_14:0)TG 14:0/14:0/14:0ME810557--3.569740.676
TG(14:0_14:0_16:0)TG 14:0_14:0_16:0ME810546--3.623768.708
TG(14:0_15:0_16:0)TG 14:0_15:0_16:0ME810547--3.642782.723
TG(14:0_16:0_16:0)TG 14:0_16:0_16:0ME810548--3.665796.739
TG(15:0_16:0_16:0)TG 15:0_16:0_16:0ME810549--3.685810.755
TG(16:0_16:0_16:0)TG 16:0/16:0/16:0ME810550--3.706824.770
TG(16:0_16:0_18:0)TG 16:0_16:0_18:0ME810551--3.740852.801
TG(16:0_18:0_18:0)TG 16:0_18:0_18:0ME810552--3.781880.833
TG(16:0_18:1_18:1)TG 16:0_18:1_18:1ME810556--3.706876.801
TG(17:0_16:0_16:0)TG 16:0_16:0_17:0ME810555--3.720838.786
TG(18:0_18:0_18:0)TG 18:0/18:0/18:0ME810558--3.803908.864
TG(18:1_18:1_18:1)TG 18:1/18:1/18:1ME810563--3.714902.817
TG(19:2)TG 19:2*ME810561--0.758414.285
TG(20:4_20:4_20:4)TG 20:4/20:4/20:4ME810554--3.742968.770
TG(21:1)TG 21:1*ME810560--1.360444.332
TG(28:4_26:6_26:6)TG 26:6_26:6_28:4*ME810562--2.3501223.994
TG(51:14_9:0)TG 51:14_9:0*ME810553--3.654964.739


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Cer(d18:2_17:0)Cer 18:2;O2/17:0ME810564--3.368594.510
FA(12:0)Lauric acidME810599--2.103199.170
FA(14:0)Myristic acidME810598--2.427227.202
FA(15:0)Pentadecylic acidME810566--2.567241.217
FA(15:1)Pentadecenoic acidME810586--2.359239.202
FA(16:1)Hexadecenoic acidME810571--2.509253.217
FA(16:3)Hexadecatrienoic acidME810592--0.988249.186
FA(17:0)Margaric acidME810594--2.788269.249
FA(17:1)Heptadecenoic acidME810587--2.643267.233
FA(18:0)Stearic acidME810593--2.856283.264
FA(18:1)Octadecenoic acidME810597--2.367281.249
FA(18:2)Octadecadienoic acidME810574--2.201279.233
FA(18:3)Octadecatrienoic acidME810573--2.432277.217
FA(19:0)Nonadecylic acidME810572--2.997297.280
FA(20:0)Arachidic acidME810595--3.092311.296
FA(20:1)Eicosenoic acidME810585--2.940309.280
FA(20:2)Eicosadienoic acidME810583--2.809307.264
FA(20:3)Eicosatrienoic acidME810577--2.668305.249
FA(20:4)Arachidonic acidME810576--2.203303.233
FA(20:5)Eicosapentaenoic acidME810575--2.616301.217
FA(21:0)Heneicosylic acidME810600--2.980325.311
FA(22:0)Behenic acidME810584--2.800369.301
FA(22:1)Docosenoic acidME810590--3.109337.311
FA(22:3)Docosatrienoic acidME810588--2.886333.280
FA(22:4)Docosatetraenoic acidME810580--2.749331.264
FA(22:5)Docosapentaenoic acidME810579--2.633329.249
FA(22:6)DHAME810578--2.498327.233
FA(23:0)Tricosylic acidME810596--3.331353.343
FA(24:0)Lignoceric acidME810581--2.984397.332
FA(24:1)Tetracosenoic acidME810589--3.257365.343
FA(24:2)Tetracosadienoic acidME810591--3.150363.327
FA(25:0)Hyenic acidME810601--3.438381.374
FA(26:0)Cerotic acidME810567--3.108425.364
FA(27:0)Carboceric acidME810565--3.325409.405
FA(28:0)Montanic acidME810570--3.331453.395
FA(28:7)Octacosaheptaenoic acidME810582--3.175409.311
FA(29:0)Nonacosylic acidME810568--3.637437.436
FA(30:0)Melissic acidME810569--3.480451.452
LPC(19:1)LPC 19:1ME810605--2.428580.362
LPC(19:2)LPC 19:2ME810604--2.267578.346
LPC(O-19:0)LPC O-19:0*ME810603--2.690568.398
LPC(O-19:1)LPC O-19:1*ME810602--2.513566.383
LPE(16:0)LPE 16:0ME810606--2.406452.278
LPE(18:0)LPE 18:0ME810607--2.632480.310
LPE(18:1)LPE 18:1ME810608--2.423478.294
LPE(20:3)LPE 20:3ME810609--2.408502.294
LPE(20:4)LPE 20:4ME810610--2.260500.278
LPE(22:3)LPE 22:3ME810611--2.582530.325
LPE(22:4)LPE 22:4ME810612--2.445528.310
LPE(22:5)LPE 22:5ME810613--2.304526.294
LPE(P-18:0)LPE P-18:0ME810615--2.730464.315
LPE(P-18:1)LPE P-18:1ME810614--2.556462.299
LPG(18:1)LPG 18:1ME810619--2.237509.288
LPG(20:3)LPG 20:3ME810616--2.165533.288
LPG(20:4)LPG 20:4ME810620--2.084531.273
LPG(22:4)LPG 22:4ME810617--2.266559.304
LPG(22:5)LPG 22:5ME810618--2.223557.288
LPI(18:0)LPI 18:0ME810621--2.396599.320
LPI(20:3)LPI 20:3ME810622--2.214621.305
LPS(18:0)LPS 18:0ME810623--2.398524.299
PA(16:0_18:2)PA 16:0_18:2ME810624--3.207671.466
PA(16:0_20:4)PA 16:0_20:4ME810625--3.200695.466
PC(13:1_18:1)PC 13:1_18:1*ME810672--3.211760.513
PC(16:0_17:0)PC 16:0_17:0ME810629--3.378792.576
PC(16:0_18:1)PC 16:0_18:1ME810639--3.247744.555
PC(16:0_18:2)PC 16:0_18:2ME810628--3.317742.539
PC(16:0_20:3)PC 16:0_20:3ME810657--3.355768.555
PC(16:0_20:4)PC 16:0_20:4ME810634--3.317766.539
PC(17:0_16:1)PC 16:1_17:0ME810645--3.300790.560
PC(17:0_18:1)PC 17:0_18:1ME810641--3.389818.592
PC(17:0_18:2)PC 17:0_18:2ME810630--3.331816.576
PC(17:0_20:3)PC 17:0_20:3ME810648--3.361842.592
PC(17:0_20:5)PC 17:0_20:5ME810654--3.288838.560
PC(17:0_22:4)PC 17:0_22:4ME810661--3.413868.607
PC(17:1_18:2)PC 17:1_18:2ME810671--3.258814.560
PC(18:0_18:1)PC 18:0_18:1ME810653--3.441832.607
PC(18:0_18:2)PC 18:0_18:2ME810642--3.375830.592
PC(18:0_20:4)PC 18:0_20:4ME810649--3.372854.592
PC(18:1_18:2)PC 18:1_18:2ME810658--3.494768.555
PC(18:1_19:1)PC 18:1_19:1ME810667--3.420844.607
PC(18:2_19:2)PC 18:2_19:2*ME810646--3.310840.576
PC(19:0_18:1)PC 18:1_19:0ME810655--3.485846.623
PC(19:0_22:4)PC 19:0_22:4ME810651--3.482896.639
PC(19:0_22:6)PC 19:0_22:6ME810633--3.364892.607
PC(19:1_20:4)PC 19:1_20:4ME810668--3.340866.592
PC(19:2_20:4)PC 19:2_20:4*ME810650--3.262864.576
PC(21:4_20:4)PC 20:4_21:4*ME810656--3.252888.576
PC(6:0_16:1)PC 6:0_16:1*ME810669--2.791576.367
PC(9:0_18:0)PC 9:0_18:0*ME810643--3.043708.482
PC(O-14:1_18:1)PC O-14:1/18:1ME810637--3.472700.529
PC(O-14:1_18:2)PC O-14:1/18:2ME810636--3.416698.513
PC(O-14:1_20:4)PC O-14:1/20:4ME810644--3.404722.513
PC(O-14:1_22:4)PC O-14:1/22:4ME810626--3.477750.544
PC(O-16:1_18:1)PC O-16:1/18:1ME810638--3.546728.560
PC(O-16:1_22:3)PC O-16:1/22:3ME810652--3.548780.591
PC(O-16:1_22:4)PC O-16:1/22:4ME810631--3.539778.576
PC(O-16:2_22:4)PC O-16:2/22:4ME810670--3.496776.560
PC(O-16:2_22:6)PC O-16:2/22:6ME810665--3.395772.529
PC(O-17:0_18:1)PC O-17:0/18:1*ME810640--3.452804.612
PC(O-17:0_18:2)PC O-17:0/18:2ME810662--3.405802.597
PC(O-17:0_20:4)PC O-17:0/20:4ME810659--3.384826.597
PC(O-17:1_18:2)PC O-17:1/18:2ME810664--3.373800.581
PC(O-17:1_20:4)PC O-17:1/20:4ME810666--3.361824.581
PC(O-19:0_18:1)PC O-19:0/18:1*ME810635--3.541832.644
PC(O-19:0_20:4)PC O-19:0/20:4*ME810663--3.481854.628
PC(O-19:1_18:1)PC O-19:1/18:1*ME810660--3.477830.628
PC(O-19:1_20:4)PC O-19:1/20:4*ME810632--3.403852.612
PC(O-19:2_18:1)PC O-19:2/18:1*ME810647--3.460828.612
PC(O-19:2_20:4)PC O-19:2/20:4*ME810627--3.378850.597
PE(14:0_20:4)PE 14:0_20:4ME810688--3.238710.477
PE(15:0_18:1)PE 15:0_18:1ME810717--3.373702.508
PE(15:0_20:4)PE 15:0_20:4ME810712--3.302724.492
PE(16:0_16:0)PE 16:0/16:0ME810698--3.276690.508
PE(16:0_16:1)PE 16:0_16:1ME810709--3.331688.492
PE(16:0_18:1)PE 16:0_18:1ME810673--3.424716.524
PE(16:0_18:2)PE 16:0_18:2ME810674--3.350714.508
PE(16:0_18:3)PE 16:0_18:3ME810710--3.295712.492
PE(16:0_20:4)PE 16:0_20:4ME810675--3.348738.508
PE(16:0_20:5)PE 16:0_20:5ME810697--3.275736.492
PE(16:2_20:4)PE 16:2_20:4*ME810720--3.231734.477
PE(17:0_18:2)PE 17:0_18:2ME810711--3.390728.524
PE(17:0_20:4)PE 17:0_20:4ME810699--3.391752.524
PE(17:0_22:4)PE 17:0_22:4ME810705--3.360780.555
PE(17:1_20:4)PE 17:1_20:4ME810714--3.310750.508
PE(18:0_18:1)PE 18:0_18:1ME810676--3.509744.555
PE(18:0_20:3)PE 18:0_20:3ME810702--3.479768.555
PE(18:0_20:4)PE 18:0_20:4ME810677--3.437766.539
PE(18:0_22:3)PE 18:0_22:3ME810690--3.546796.586
PE(18:0_22:4)PE 18:0_22:4ME810692--3.494794.571
PE(18:1_18:1)PE 18:1/18:1ME810678--3.444742.539
PE(18:1_18:2)PE 18:1_18:2ME810716--3.372740.524
PE(18:1_20:1)PE 18:1_20:1ME810703--3.422770.571
PE(18:1_20:4)PE 18:1_20:4ME810679--3.365764.524
PE(18:1_22:4)PE 18:1_22:4ME810708--3.435792.555
PE(18:1_22:6)PE 18:1_22:6ME810706--3.326788.524
PE(18:2_20:4)PE 18:2_20:4ME810700--3.310762.508
PE(20:2_20:4)PE 20:2_20:4ME810707--3.394790.539
PE(22:3_20:4)PE 20:4_22:3*ME810691--3.164816.555
PE(8:0_16:1)PE 8:0_16:1*ME810693--2.790576.367
PE(O-15:1_20:4)PE O-15:1/20:4ME810694--3.334708.497
PE(O-16:1_18:1)PE O-16:1/18:1ME810680--3.478700.529
PE(O-16:1_18:2)PE O-16:1/18:2ME810681--3.412698.513
PE(O-16:1_20:3)PE O-16:1/20:3ME810682--3.425724.529
PE(O-16:1_20:4)PE O-16:1/20:4ME810683--3.401722.513
PE(O-16:1_20:5)PE O-16:1/20:5ME810684--3.340720.497
PE(O-16:1_22:4)PE O-16:1/22:4ME810685--3.415750.544
PE(O-17:1_18:1)PE O-17:1/18:1ME810695--3.506714.544
PE(O-17:1_20:4)PE O-17:1/20:4ME810686--3.448736.529
PE(O-17:1_22:4)PE O-17:1/22:4ME810701--3.502764.560
PE(O-17:1_22:6)PE O-17:1/22:6ME810718--3.418760.529
PE(O-18:0_22:5)PE O-18:0/22:5ME810704--3.543778.576
PE(O-18:1_18:1)PE O-18:1/18:1ME810696--3.550728.560
PE(O-18:1_20:4)PE O-18:1/20:4ME810687--3.569750.544
PE(O-18:1_22:3)PE O-18:1/22:3ME810689--3.594780.591
PE(O-18:2_18:1)PE O-18:2/18:1ME810713--3.485726.544
PE(O-18:2_22:4)PE O-18:2/22:4ME810715--3.496776.560
PE(O-18:2_22:6)PE O-18:2/22:6ME810721--3.398772.529
PE(O-18:3_20:4)PE O-18:3/20:4ME810719--3.375746.513
PG(16:0_18:1)PG 16:0_18:1ME810725--3.211747.518
PG(18:1_18:2)PG 18:1_18:2ME810733--3.124771.518
PG(18:1_20:3)PG 18:1_20:3ME810730--3.145797.534
PG(18:1_22:4)PG 18:1_22:4ME810727--3.174823.549
PG(18:2_18:2)PG 18:2/18:2ME810722--3.103769.503
PG(18:2_20:3)PG 18:2_20:3ME810726--3.096795.518
PG(18:2_20:4)PG 18:2_20:4ME810729--3.029793.503
PG(18:2_22:4)PG 18:2_22:4ME810731--3.146821.534
PG(18:2_22:5)PG 18:2_22:5ME810723--3.078819.518
PG(20:3_22:4)PG 20:3_22:4ME810732--3.165847.549
PG(20:3_22:5)PG 20:3_22:5ME810735--3.107845.534
PG(20:4_20:4)PG 20:4/20:4ME810724--3.018817.503
PG(22:4_22:5)PG 22:4_22:5ME810734--3.150871.549
PG(22:5_22:5)PG 22:5/22:5ME810728--2.852869.534
PI(16:0_18:0)PI 16:0_18:0ME810741--3.256837.550
PI(16:0_18:2)PI 16:0_18:2ME810736--3.116833.519
PI(16:0_20:4)PI 16:0_20:4ME810737--3.110857.519
PI(18:0_18:2)PI 18:0_18:2ME810738--3.216861.550
PI(18:0_20:3)PI 18:0_20:3ME810739--3.252887.566
PI(18:0_20:4)PI 18:0_20:4ME810743--3.215885.550
PI(18:1_20:4)PI 18:1_20:4ME810740--3.135883.534
PI(22:4_18:0)PI 18:0_22:4ME810744--3.278913.581
PI(26:1_14:2)PI 14:2_26:1*ME810742--3.098915.597
PS(16:0_18:1)PS 16:0_18:1ME810750--3.207760.513
PS(16:0_20:4)PS 16:0_20:4ME810746--3.117782.498
PS(17:0_20:4)PS 17:0_20:4ME810757--3.170796.513
PS(18:0_21:4)PS 18:0_21:4*ME810749--3.233824.545
PS(18:0_22:4)PS 18:0_22:4ME810755--3.285838.560
PS(18:0_22:6)PS 18:0_22:6ME810751--3.207834.529
PS(18:2_20:4)PS 18:2_20:4ME810748--3.066806.498
PS(20:3_20:4)PS 20:3_20:4ME810752--3.102832.513
PS(20:3_22:6)PS 20:3_22:6ME810756--3.198856.513
PS(20:4_22:4)PS 20:4_22:4ME810745--3.133858.529
PS(22:3_20:4)PS 20:4_22:3*ME810753--3.198860.545
PS(24:3_20:4)PS 20:4_24:3*ME810754--3.261888.576
PS(O-18:0_20:4)PS O-18:0/20:4ME810747--3.286796.550
SM(d33:0)SM 33:0;O2ME810761--3.191735.566
SM(d35:1)SM 35:1;O2ME810758--3.272761.581
SM(d37:2)SM 37:2;O2ME810764--3.306787.597
SM(d41:2)SM 41:2;O2ME810759--3.488843.660
SM(d41:3)SM 41:3;O2ME810760--3.425841.644
SM(d43:3)SM 43:3;O2ME810763--3.501869.675
SM(d43:4)SM 43:4;O2ME810762--3.444867.660


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