Return to study ST002470 main page

Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
13-cis-Retinoic acid13-cis-Retinoic acidME582973--1.74301.2157
1-Methyladenosine1-MethyladenosineME583207--7.72282.1192
1-Methylguanine1-MethylguanineME582975--5.37166.0724565
1-Methylguanosine1-MethylguanosineME582976--5.12298.114
1-Methylhistamine1-MethylhistamineME582977--9.78126.102642
1-Methyl nicotinamide1-Methyl nicotinamideME582974--8.27137.0707
2-Aminobenzoic acid2-Aminobenzoic acidME582978--2138.0547
2-Aminooctanoic acid2-Aminocaprylic acidME583223--6.48160.132999999999
3-Dehydroxycarnitine3-DehydroxycarnitineME582980--8.78146.1173
3-Methylhistidine3-MethylhistidineME582981--9.77170.0922
3-Methylxanthine3-MethylxanthineME582982--3.36167.0562
3-(N-Acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME582979--5.03313.0847
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME582983--3.59755146.0812597
4-Aminohippuric acid4-Aminohippuric acidME583208--2.38195.0764
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME583209--7.35146.0921
4-Pyridoxic acid4-Pyridoxic acidME582984--4.22184.0603
5-Acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME582985--5.34199.0824
5-Amino-levulinic acid5-Amino-levulinic acidME582986--8.15132.06559
7-Methylguanine7-MethylguanineME582987--5.82166.0721
7-Methylxanthine7-MethylxanthineME583210--3.68167.0562
AcetaminophenAcetaminophenME582988--2.03152.0704
AcisogaAcisogaME582989--5.74185.1283
AdenosineAdenosineME582990--5.06268.1036
AgmatineAgmatineME582991--9.31131.129257
Ala-AlaAla-AlaME582992--7.94161.0918
AlanineAlanineME582993--7.8190.0549
AllantoinAllantoinME583211--3.6956159.051385
alpha-N-Phenylacetylglutaminealpha-N-PhenylacetylglutamineME582994--4.61265.1178
alpha-Tocopherolalpha-TocopherolME582995--1.69431.3513
Aminoisobutyric acidAminoisobutyric acidME582996--7.98104.07061
AnserineAnserineME582997--10.52241.1292
ArginineArginineME582998--9.14175.1188
AsparagineAsparagineME582999--7.87133.0607
Aspartic acidAspartic acidME583000--8.18134.044815
beta-Alaninebeta-AlanineME583001--8.2190.055016
BetaineBetaineME583002--9.02118.0862
BiliverdinBiliverdinME583003--2.02583.2546
C16 SphingosineC16 SphingosineME583004--5.9272.258
C17 SphinganineC17 SphinganineME583005--5.85288.2891
C20 SphinganineC20 SphinganineME583006--5.87330.336
C20 SphingosineC20 SphingosineME583007--5.74328.3203
C22 SphingosineC22 SphingosineME583008--5.63356.3516
CaffeineCaffeineME583009--2.93195.0876
CAR 10:0CAR 10:0ME583227--7.19316.2476
CAR 10:1CAR 10:1ME583010--7.23314.2319
CAR 12:0CAR 12:0ME583011--7.02344.2788
CAR 12:1CAR 12:1ME583012--7.04342.2632
CAR 14:0CAR 14:0ME583013--6.87372.3101
CAR 14:1CAR 14:1ME583014--6.87370.2945
CAR 14:2CAR 14:2ME583015--6.94368.2788
CAR 16:0CAR 16:0ME583016--6.76400.3414
CAR 18:0CAR 18:0ME583017--6.65428.3726
CAR 18:1CAR 18:1ME583018--6.67426.356999999999
CAR 18:2CAR 18:2ME583019--6.72424.3414
CAR 2:0CAR 2:0ME583020--8.69204.1228
CAR 20:4CAR 20:4ME583021--6.62448.3415
CAR 26:0CAR 26:0ME583228--6.34540.4985
CAR 3:0CAR 3:0ME583022--8.36218.1385
CAR 4:0CAR 4:0ME583023--8.05232.154
CAR 4:0;OHCAR 4:0;OHME583024--8.87248.1489
CAR 5:0CAR 5:0ME583025--7.84246.1696
CAR 5:1CAR 5:1ME583026--7.91244.154
CAR 6:0CAR 6:0ME583225--7.61260.1852
CAR 7:0CAR 7:0ME583226--7.64274.200958
CAR 8:0CAR 8:0ME583027--7.38288.2164
CAR 9:0CAR 9:0ME583028--7.25302.2319
CAR DC3:0;2MeCAR DC3:0;2MeME583029--8.56262.1281
CAR DC5:0CAR DC5:0ME583030--8.34276.1436
CAR DC6:0CAR DC6:0ME583031--8.16290.1593
CarnitineCarnitineME583032--8.82162.1121
Cer 18:1;O2/14:0Cer 18:1;O2/14:0ME583033--1.91510.4879
Cer 18:1;O2/16:0Cer 18:1;O2/16:0ME583034--1.89538.5193
Cer 18:1;O2/16:1Cer 18:1;O2/16:1ME583035--1.89536.5037
Cer 18:1;O2/18:0Cer 18:1;O2/18:0ME583036--1.87566.5501
Cer 18:1;O2/18:1Cer 18:1;O2/18:1ME583037--1.87564.5344
Cer 18:1;O2/20:0Cer 18:1;O2/20:0ME583038--1.86594.5816
Cer 18:1;O2/20:1Cer 18:1;O2/20:1ME583039--1.86592.566
Cer 18:1;O2/22:0Cer 18:1;O2/22:0ME583040--1.84622.6126
Cer 18:1;O2/24:0Cer 18:1;O2/24:0ME583041--1.83650.6448
Cer 18:1;O2/24:1Cer 18:1;O2/24:1ME583042--1.83648.6282
CholestenoneCholestenoneME583043--1.76385.3458
CholineCholineME583044--8.32104.1068
Choline phosphateCholine phosphateME583045--11.15184.073456
CitrullineCitrullineME583046--8.35176.1028
CortisolCortisolME583212--2.03363.2158
CortisoneCortisoneME583213--2.03361.2003
CreatineCreatineME583047--8.33132.0767
CreatinineCreatinineME583048--6.53114.0662
CryptoxanthinCryptoxanthinME583049--1.68552.433
CystineCystineME583214--9.29241.031036
CytosineCytosineME583050--6.22112.0504
D-alpha-tocopherylquinonealpha-TocoquinoneME583051--1.69447.3824
DG 34:1DG 34:1ME583052--1.62617.5129
DG 34:2DG 34:2ME583053--1.62615.4971
DG 36:2DG 36:2ME583054--1.62638.5717
DG 36:3DG 36:3ME583055--1.62636.5556
DG 36:4DG 36:4ME583056--1.62634.5397
DG 38:5DG 38:5ME583057--1.62660.5559
DiethanolamineDiethanolamineME583058--7.56106.0862
DimethylarginineDimethylarginineME583059--9.92203.150314
DimethylglycineDimethylglycineME583060--8.56104.0705
DMGVDMGVME583215--8.07575202.118762
D-N-Acetylgalactosamine-ME583061--5.39204.0866
EctoineEctoineME583062--8.95143.0813
(E,E)-Trichostachine_a(E,E)-TrichostachineME582971--2.03272.1276
(E,E)-Trichostachine_b(E,E)-TrichostachineME582972--2.45272.1276
gamma-Aminobutyric acidgamma-Aminobutyric acidME583063--7.9104.07061
Glu-IleGlu-IleME583064--7.4261.144
Glutamic acidGlutamic acidME583065--7.59148.0601
GlutamineGlutamineME583066--8.02147.0761
Gly-ArgGly-ArgME583067--9.57232.1401
glycidyl linoleateGlycidyl linoleateME583068--1.62337.273
GlycineGlycineME583069--7.9176.0393
Glycocholic acidGlycocholic acidME583070--5.3466.3158
Glycodeoxycholic acidGlycodeoxycholic acidME583071--4.22450.3208
Gly-ProGly-ProME583072--8.98173.0919
Guanidoacetic acidGuanidoacetic acidME583073--7.87118.0612
Hippuric acidHippuric acidME583229--2.6180.0653
HistamineHistamineME583074--9.23112.0868
HistidineHistidineME583075--9.12156.0766
HomoarginineHomoarginineME583216--9.22189.1345
HydroxyprolineHydroxyprolineME583076--7.87132.0655
HypotaurineHypotaurineME583217--8110.0269
HypoxanthineHypoxanthineME583077--4.87137.0454
Ile-TrpIle-TrpME583078--6.26318.1805
Ile-ValIle-ValME583079--6.89231.17
Imidazolepropionic acidImidazolepropionic acidME583080--7.69141.065903
InosineInosineME583081--4.9269.0876
IsoleucineIsoleucineME583082--7.36132.101944
Kynurenic acidKynurenic acidME583083--5.28190.0497
LenticinLenticinME583084--7.39247.1437
LeucineLeucineME583085--7.22132.101944
Leu-LeuLeu-LeuME583086--6.58245.1856
Leu-PheLeu-PheME583087--6.59279.1698
Linoleoyl-EALinoleoyl-EAME583088--2.02324.2891
LPC 14:0LPC 14:0ME583089--7.95468.3079
LPC 15:0LPC 15:0ME583090--7.88482.3238
LPC 16:0LPC 16:0ME583091--7.81496.3392
LPC 16:1LPC 16:1ME583092--7.87494.3239
LPC 18:1LPC 18:1ME583093--7.74522.3551
LPC 18:2LPC 18:2ME583094--7.8520.3394
LPC 18:3LPC 18:3ME583095--7.81518.3216
LPC 20:1LPC 20:1ME583096--7.65550.3867
LPC 20:3_aLPC 20:3ME583097--7.56546.3534
LPC 20:3_bLPC 20:3ME583233--7.776166667546.3536783
LPC 20:4LPC 20:4ME583098--7.73544.3392
LPC 20:5LPC 20:5ME583232--7.8542.3218
LPC 22:5LPC 22:5ME583235--7.68570.355
LPC 22:6LPC 22:6ME583234--7.69568.3388
LPC O-16:0LPC O-16:0ME583099--7.93482.36
LPC O-18:0LPC O-18:0ME583100--7.81510.3911
LPC P-16:0 or LPC O-16:1LPC P-16:0 or LPC O-16:1ME583101--7.66480.3444
LPC(P-18:0)/LPC(O-18:1)_BLPC P-18:0 or LPC O-18:1ME583103--7.54508.3759
LPC P-18:0 or LPC O-18:1LPC P-18:0 or LPC O-18:1ME583102--7.85508.3758
LPE 16:0LPE 16:0ME583104--6.33454.2922
LPE 16:1LPE 16:1ME583105--6.36452.2765
LPE 17:0LPE 17:0ME583106--6.3468.3079
LPE 18:0LPE 18:0ME583107--6.26482.3236
LPE 18:1LPE 18:1ME583108--6.28480.3079
LPE 18:2LPE 18:2ME583109--6.32478.2923
LPE 18:3LPE 18:3ME583110--6.34476.2754
LPE 20:0LPE 20:0ME583111--7.76510.3551
LPE 20:1LPE 20:1ME583237--7.8508.3396
LPE 20:3LPE 20:3ME583112--6.27504.3075
LPE 20:4LPE 20:4ME583236--6.27502.2924
LPE 22:6LPE 22:6ME583238--6.24526.2926
LPE P-18:0 or LPE O-18:1LPE P-18:0 or LPE O-18:1ME583113--6.15466.3286
Lys-GlyLys-GlyME583114--9.72204.1341
LysineLysineME583218--9.58169.0948
Mesalamine-ME583115--3.98154.0496
MethionineMethionineME583116--7.05150.0581
Methionine sulfoxideMethionine sulfoxideME583117--8.63166.0531
MethylguanidineMethylguanidineME583118--7.0474.071331
Methylimidazoleacetic acidMethylimidazoleacetic acidME583119--8.87141.0655
MetronidazoleMetronidazoleME583219--2.76172.0714
MonoethylglycinexylidideMonoethylglycinexylidideME583120--6.27207.149
myristoleateMyristoleic acidME583121--1.69227.2004
N1-AcetylspermidineN1-AcetylspermidineME583125--9.86188.1756
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME583126--4.37153.0656
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME583124--10.4287.2436
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME583127--5.39312.1296
N4-AcetylcytidineN4-AcetylcytidineME583220--4.29286.1028
N6-AcetyllysineN6-AcetyllysineME583128--8.4189.1232
N(6)-MethyllysineN(6)-MethyllysineME583123--9.68161.1282
N(6),N(6)-Dimethyl-lysineN(6),N(6)-Dimethyl-lysineME583122--10.25175.1439
N-6-TrimethyllysineN-6-TrimethyllysineME583129--11.21189.1596
N-acetyl-5-Aminosalicylic acid-ME583130--3.18196.0604
N-AcetylarginineN-AcetylarginineME583131--8.19217.1293
N-Acetylaspartic acidN-Acetylaspartic acidME583132--4.37176.0552
N-Acetyl-D-galactosamineN-Acetyl-D-galactosamineME583133--5.39222.0969
N-Acetyl-D-tryptophanN-Acetyl-D-tryptophanME583230--2.91247.1076125
N-Acetylglutamic acidN-Acetylglutamic acidME583134--4.4190.0709
N-AcetylhistidineN-AcetylhistidineME583135--8.35198.0848
N-AcetylisoputreanineN-AcetylisoputreanineME583136--8.19203.1389
N-AcetylleucineN-AcetylleucineME583137--2.68174.1123
N-AcetylornithineN-AcetylornithineME583138--8.43175.1076
N-AcetylputrescineN-AcetylputrescineME583139--7.98131.1178
NiacinamideNiacinamideME583221--3.84123.0556
Nicotinic acidNicotinic acidME583140--3.71124.0395
N-LauroylglycineN-LauroylglycineME583141--2.41258.205999999999
N-methylhistamine1-MethylhistamineME583142--9.78126.102642
N-Methyl-prolineN-Methyl-prolineME583143--8.67130.0862
O-ethyl-homoserineO-EthylhomoserineME583144--7.49148.0965
Oleoyl-EAOleoyl-EAME583145--2.01326.3047
OrnithineOrnithineME583146--9.26133.0971
p-Acetamidophenylglucuronidep-AcetamidophenylglucuronideME583224--5.36328.102
Palmitoyl-EAPalmitoyl-EAME583147--2.03300.2891
Pantothenic acidPantothenic acidME583148--3.02220.1177
PC 30:0PC 30:0ME583239--6.78706.5371
PC 32:0PC 32:0ME583149--6.75734.569
PC 32:2PC 32:2ME583240--6.75730.5372
PC 34:2PC 34:2ME583150--6.47758.5678
PC 34:3PC 34:3ME583151--6.71756.5521
PC 34:4PC 34:4ME583241--6.76754.5356
PC 36:2PC 36:2ME583152--6.77786.597778
PC O-18:0 (C16-PAF)-ME583153--7.7524.3708
PC O-32:0PC O-32:0ME583154--6.77720.5893
PC P-32:0 or PC O-32:1PC P-32:0 or PC O-32:1ME583155--6.74718.5733
PC P-34:0 or PC O-34:1PC P-34:0 or PC O-34:1ME583156--6.72746.6058
PC P-34:1 or PC O-34:2PC P-34:1 or PC O-34:2ME583157--6.72744.5895
PC P-34:2 or PC O-34:3PC P-34:2 or PC O-34:3ME583158--6.64742.5737
PC P-36:4 or PC O-36:5PC P-36:4 or PC O-36:5ME583242--6.56766.5729
PC P-38:5 or PC O-38:6PC P-38:5 or PC O-38:6ME583244--6.52792.5888
PC P-38:6 or PC O-38:7PC P-38:6 or PC O-38:7ME583243--6.53790.573
PE 34:0PE 34:0ME583245--6.77720.5529
PE 34:2PE 34:2ME583159--5.56716.5214
PE 36:2PE 36:2ME583247--5.53744.5531
PE 36:4PE 36:4ME583246--5.49740.5217
PE 38:4PE 38:4ME583249--5.46768.5523
PE 38:6PE 38:6ME583248--5.48764.5208
PE 40:6PE 40:6ME583250--5.44792.5526
PE P-34:1 or PE O-34:2PE P-34:1 or PE O-34:2ME583160--5.51702.5429
PE P-34:2 or PE O-34:3PE P-34:2 or PE O-34:3ME583161--5.52700.5263
PE P-36:2 or PE O-36:3PE P-36:2 or PE O-36:3ME583162--5.48728.5583
PE P-36:4 or PE O-36:5PE P-36:4 or PE O-36:5ME583251--5.45724.5266
PE P-38:4 or PE O-38:5PE P-38:4 or PE O-38:5ME583254--5.42752.5574
PE P-38:5 or PE O-38:6PE P-38:5 or PE O-38:6ME583253--5.42750.5416
PE P-38:6 or PE O-38:7PE P-38:6 or PE O-38:7ME583252--5.42748.5258
PE P-40:6 or PE O-40:7PE P-40:6 or PE O-40:7ME583255--5.39776.5576
Phe-IlePhe-IleME583163--6.34279.1698
PhenylalaninePhenylalanineME583164--6.97166.086319
Phenylalanine-d8 [iSTD]-ME583165--6.98174.136505
Phe-PhePhe-PheME583166--6.28313.154
Phe-TrpPhe-TrpME583167--6.13352.1649
Pipecolic acidPipecolic acidME583168--8.02130.0861
PiperinePiperineME583169--2286.1432
Pro-Ala/Ala-Pro-ME583170--8.19187.1076
Pro-GlyPro-GlyME583171--8.5173.0919
ProlineProlineME583172--8.14116.0706
Proline betaineProline betaineME583173--9.31144.1016
PseudouridinePseudouridineME583222--4.2245.0765
PS P-36:1 or PS O-36:2PS P-36:1 or PS O-36:2ME583256--6.82774.5629
RetinolRetinolME583174--1.58269.2259
RibothymidineRibothymidineME583175--2.99259.092377
SerineSerineME583176--7.64106.0498
SerotoninSerotoninME583177--6.34177.1021
SM 18:1;O2/14:0SM 18:1;O2/14:0ME583178--7.39675.5421
SM 18:1;O2/16:0SM 18:1;O2/16:0ME583179--7.25703.5735
SM 18:1;O2/16:1SM 18:1;O2/16:1ME583180--7.26701.5579
SM 18:1;O2/18:0SM 18:1;O2/18:0ME583258--7.2731.6053
SM 18:1;O2/18:1SM 18:1;O2/18:1ME583257--7.21729.5895
SM 18:1;O2/18:3SM 18:1;O2/18:3ME583181--7.29725.5557
SM 18:1;O2/20:0SM 18:1;O2/20:0ME583259--7.13759.6359
SM 18:1;O2/22:0SM 18:1;O2/22:0ME583260--7.09787.6678
S-Methylcysteine S-oxideS-Methylcysteine S-oxideME583182--8.58152.0383
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME583183--10.45258.1097
SolanidineSolanidineME583184--5.99398.3409
SphinganineSphinganineME583185--5.86302.3047
StearamideStearamideME583186--1.97284.2943
Symmetric dimethyl-arginineSymmetric dimethylarginineME583187--9.82203.150299
TarginineTarginineME583188--9.37189.1345
TaurineTaurineME583189--6.08126.022
TetradecylamineTetradecylamineME583190--5.95214.2527
TheobromineTheobromineME583191--3.28181.0718
ThiamineThiamineME583192--9.78265.1113
ThreonineThreonineME583193--7.56120.0658
threosphingosine-ME583194--6.01300.2893
tridecylamineTridecylamineME583195--5.89200.2372
TriethanolamineTriethanolamineME583196--7.75150.1122
TrigonellineTrigonellineME583197--8.92138.0547
Trimethylamine N-oxideTrimethylamine N-oxideME583231--8.3276.075737
TryptophanTryptophanME583198--6.76205.097137
TyrosineTyrosineME583199--7.08182.081299
Ureidopropionic acidUreidopropionic acidME583200--4.32133.060837
Uric acidUric acidME583201--4.29169.0353
Urocanic acidUrocanic acidME583202--4.51139.0499
Val-Arg/Val-Arg-ME583203--9.29274.1869
ValineValineME583204--7.67118.086243
Valine-d8 [iSTD]-ME583205--7.69126.136513
XanthineXanthineME583206--3.81153.0405


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
beta-tocopherolbeta-tocopherolME583261--7.88416.3643
C24:0 PCPC 24:0ME583262--6.72622.4436
CE 14:0CE 14:0ME583263--11.59619.5415
CE 16:0CE 16:0ME583264--11.98647.5728
CE 16:1CE 16:1ME583265--11.68645.5571
CE 18:0CE 18:0ME583266--12.42675.6039
CE 18:1CE 18:1ME583267--12.08673.5883
CE 18:2CE 18:2ME583268--11.75671.5726
CE 18:3CE 18:3ME583269--11.51669.557
CE 20:3CE 20:3ME583270--11.87697.5882
CE 20:4CE 20:4ME583271--11.62695.5725
CE 20:5CE 20:5ME583272--11.38693.557
CE 22:4CE 22:4ME583273--12723.6039
CE 22:5CE 22:5ME583274--11.7721.5885
CE 22:6CE 22:6ME583275--11.5719.5727
Cer 18:1;O2/16:0Cer 18:1;O2/16:0ME583276--8.54538.5191
Cer 18:1;O2/18:0Cer 18:1;O2/18:0ME583277--9.03566.5501
Cer 18:1;O2/20:0Cer 18:1;O2/20:0ME583278--9.45594.5814
Cer 18:1;O2/22:0Cer 18:1;O2/22:0ME583279--9.85622.6126
Cer 18:1;O2/24:0Cer 18:1;O2/24:0ME583280--10.23650.6438
Cer 18:1;O2/24:1Cer 18:1;O2/24:1ME583281--9.9648.6283
CholesterolCholesterolME583282--7.59369.3512
cholesterol b-glucoside/galactoside-ME583283--6.52571.3966
coenzyme Q10Coenzyme Q10ME583284--11.58885.6728
Coenzyme Q9Coenzyme Q9ME583285--11.01817.6098
DG 30:0DG 30:0ME583286--8.91563.4642
DG 32:0DG 32:0ME583287--9.34591.4955
DG 32:1DG 32:1ME583288--9.04589.4797
DG 32:2DG 32:2ME583289--8.74587.4637
DG 34:0DG 34:0ME583290--9.72619.5266
DG 34:1DG 34:1ME583291--9.46617.5107
DG 34:2DG 34:2ME583292--9.19615.4952
DG 34:3DG 34:3ME583293--8.89613.4796
DG 35:1DG 35:1ME583294--9.64631.5267
DG 35:2DG 35:2ME583295--9.37629.5103
DG 36:0DG 36:0ME583296--10.09647.557
DG 36:1DG 36:1ME583297--9.86645.5421
DG 36:2DG 36:2ME583298--9.59643.5264
DG 36:3DG 36:3ME583299--9.3641.5107
DG 36:4DG 36:4ME583300--9.02639.4951
DG 38:1DG 38:1ME583301--10.23673.5737
DG 38:2DG 38:2ME583302--9.95671.5567
DG 38:3DG 38:3ME583303--9.68669.5421
DG 38:4_aDG 38:4ME583304--9.59667.5264
DG 38:4_bDG 38:4ME583305--9.45667.5262
DG 38:5DG 38:5ME583306--9.28665.5105
LPC 14:0LPC 14:0ME583307--4.5468.3086
LPC 16:0LPC 16:0ME583308--5.01496.3397
LPC 16:1LPC 16:1ME583309--4.65494.3242
LPC 17:0LPC 17:0ME583310--5.3510.3556
LPC 18:0LPC 18:0ME583311--5.6524.3712
LPC 18:1LPC 18:1ME583312--5.19522.3556
LPC 18:2LPC 18:2ME583313--4.84520.3399
LPC 18:3LPC 18:3ME583314--4.88518.3219
LPC 19:0LPC 19:0ME583315--5.92538.3868
LPC 20:3LPC 20:3ME583316--5.01518.3216
LPC 20:4LPC 20:4ME583317--4.86544.3398
LPC 20:5LPC 20:5ME583318--4.84542.3216
LPC 22:6LPC 22:6ME583319--4.84568.3399
LPC 24:0LPC 24:0ME583320--5.19544.3372
LPC O-18:0LPC O-18:0ME583321--5.99510.3921
LPE 16:0LPE 16:0ME583322--5.03454.2927
LPE 18:0LPE 18:0ME583323--5.62482.324
LPE 18:1LPE 18:1ME583324--5.21480.3086
LPE 18:2LPE 18:2ME583325--4.85478.2929
LPE 20:4LPE 20:4ME583326--4.88502.2926
LPE 22:6LPE 22:6ME583327--4.85526.2923
MG 14:0_bMG 14:0ME583328--4.81325.2346
MG 16:1MG 16:1ME583329--5.1339.2504
MG 18:0MG 18:0ME583330--6.04381.2971
PC 30:0PC 30:0ME583331--8.37706.5371
PC 30:1PC 30:1ME583332--8.04704.5218
PC 31:0PC 31:0ME583333--8.6720.5528
PC 32:0PC 32:0ME583334--8.83734.5686
PC 32:1PC 32:1ME583335--8.52732.5528
PC 32:2PC 32:2ME583336--8.18730.5372
PC 34:0PC 34:0ME583337--9.27762.5995
PC 34:1PC 34:1ME583338--8.98760.5845
PC 34:2PC 34:2ME583339--8.67758.5688
PC 34:3PC 34:3ME583340--8.38756.5526
PC 34:4PC 34:4ME583341--8.21754.5368
PC 35:2PC 35:2ME583342--8.9772.5838
PC 36:1PC 36:1ME583343--9.4788.6154
PC 36:2PC 36:2ME583344--9.12786.6002
PC 36:4_aPC 36:4ME583345--8.49782.5679
PC 36:4_bPC 36:4ME583346--8.69782.5675
PC 38:2PC 38:2ME583347--9.48814.6306
PC 38:3PC 38:3ME583348--9.27812.6148
PC 38:4PC 38:4ME583349--9.14810.5986
PC 38:6PC 38:6ME583350--8.63806.5678
PC 40:10PC 40:10ME583351--8.33826.5349
PC 40:6PC 40:6ME583352--9.08834.5989
PC 40:9PC 40:9ME583353--8.63828.5499
PC P-34:0 or PC O-34:1_aPC P-34:0 or PC O-34:1ME583354--9.26746.6046
PC P-34:1 or PC O-34:2PC P-34:1 or PC O-34:2ME583355--9.26744.588999999999
PC P-34:2 or PC O-34:3PC P-34:2 or PC O-34:3ME583356--8.97742.5737
PC P-34:3 or PC O-34:4PC P-34:3 or PC O-34:4ME583357--8.89740.5551
PC P-34:4 or PC O-34:5PC P-34:4 or PC O-34:5ME583358--9.2738.5422
PC P-36:0 or PC O-36:1PC P-36:0 or PC O-36:1ME583359--9.68774.6341
PC P-36:1 or PC O-36:2PC P-36:1 or PC O-36:2ME583360--9.41772.6202
PC P-36:2 or PC O-36:3PC P-36:2 or PC O-36:3ME583361--9.4770.6047
PC P-36:3 or PC O-36:4_aPC P-36:3 or PC O-36:4ME583362--9768.5879
PC P-36:4 or PC O-36:5PC P-36:4 or PC O-36:5ME583363--8.97766.5725
PC P-38:3 or PC O-38:4_aPC P-38:3 or PC O-38:4ME583364--9.43796.6201
PC P-38:6 or PC O-38:7PC P-38:6 or PC O-38:7ME583365--8.9790.5732
PE 32:0PE 32:0ME583366--8.11692.5218
PE 34:2PE 34:2ME583367--8.68716.5225
PE 36:0PE 36:0ME583368--9748.5844
PE 36:1PE 36:1ME583369--9.4746.5695
PE 36:2PE 36:2ME583370--9.12744.5532
PE 36:4PE 36:4ME583371--8.7740.5234
PE 38:4PE 38:4ME583372--9.14768.5533
PE 38:5PE 38:5ME583373--8.84766.5388
PE 38:6PE 38:6ME583374--8.63764.5216
PE 40:6PE 40:6ME583375--9.07792.5529
PE P-34:2 or PE O-34:3PE P-34:2 or PE O-34:3ME583376--8.97700.5271
PE P-36:0 or PE O-36:1PE P-36:0 or PE O-36:1ME583378--9.3732.5895
PE P-36:1 or PE O-36:2PE P-36:1 or PE O-36:2ME583377--9.67730.5737
PE P-36:2 or PE O-36:3PE P-36:2 or PE O-36:3ME583379--9.4728.558
PE P-36:3 or PE O-36:4PE P-36:3 or PE O-36:4ME583380--9.09726.541
PE P-36:4 or PE O-36:5PE P-36:4 or PE O-36:5ME583381--8.98724.5267
PE P-38:2 or PE O-38:3PE P-38:2 or PE O-38:3ME583382--9.15756.5883
PE P-38:4 or PE O-38:5PE P-38:4 or PE O-38:5ME583383--9.41752.558
PE P-38:5 or PE O-38:6PE P-38:5 or PE O-38:6ME583384--9.09750.5417
PE P-38:6 or PE O-38:7PE P-38:6 or PE O-38:7ME583385--8.91748.5264
PE P-40:8 or PE O-40:7-ME583386--9.33776.5573
PiperinePiperineME583387--3.8286.1435
PS 34:0PS 34:0ME583388--8.42764.5468
PS 40:6PS 40:6ME583389--8.76836.5372
SM 18:1;O2/14:0SM 18:1;O2/14:0ME583390--7.9675.5428
SM 18:1;O2/16:0SM 18:1;O2/16:0ME583391--8.41703.5742
SM 18:1;O2/16:1SM 18:1;O2/16:1ME583392--8.05701.5584
SM 18:1;O2/18:0SM 18:1;O2/18:0ME583393--8.89731.6053
SM 18:1;O2/18:1SM 18:1;O2/18:1ME583394--8.58729.5896
SM 18:1;O2/20:0SM 18:1;O2/20:0ME583395--9.4759.6366
SM 18:1;O2/22:0SM 18:1;O2/22:0ME583396--9.75787.6681
SM 18:1;O2/22:1SM 18:1;O2/22:1ME583397--9.49785.6523
SM 18:1;O2/24:0SM 18:1;O2/24:0ME583398--10.13815.6993
SM 18:1;O2/24:1SM 18:1;O2/24:1ME583399--9.79813.6835
sphingosineSphingosineME583400--4.39300.2894
TG 41:0TG 41:0ME583401--10.78731.6151
TG 42:0TG 42:0ME583402--10.94745.6308
TG 43:0TG 43:0ME583403--11.08759.6466
TG 43:1TG 43:1ME583404--10.88757.6307
TG 43:2TG 43:2ME583405--10.66755.615
TG 44:0TG 44:0ME583406--11.25773.6619
TG 44:1TG 44:1ME583407--11.03771.6463
TG 44:2TG 44:2ME583408--10.81769.6307
TG 45:0TG 45:0ME583409--11.38787.6772
TG 45:1TG 45:1ME583410--11.17785.661999999999
TG 45:2TG 45:2ME583411--10.95783.6463
TG 46:0TG 46:0ME583412--11.54801.6926
TG 46:1TG 46:1ME583413--11.32799.6776
TG 46:2TG 46:2ME583414--11.1797.6614
TG 46:3TG 46:3ME583415--10.89795.646
TG 46:4TG 46:4ME583416--10.68793.6308
TG 47:0TG 47:0ME583417--11.69815.7088
TG 47:1TG 47:1ME583418--11.47813.6935
TG 47:2TG 47:2ME583419--11.25811.6775
TG 48:0TG 48:0ME583420--11.87829.7249
TG 48:1TG 48:1ME583421--11.63827.7086
TG 48:2TG 48:2ME583422--11.4825.6923
TG 48:3TG 48:3ME583423--11.18823.677
TG 48:4TG 48:4ME583424--10.97821.6616
TG 48:5TG 48:5ME583425--10.76819.6461
TG 49:0TG 49:0ME583426--12.01843.74
TG 49:1TG 49:1ME583427--11.79841.7245
TG 49:2TG 49:2ME583428--11.55839.7094
TG 49:3TG 49:3ME583429--11.33837.6933
TG 50:0TG 50:0ME583430--12.22857.7557
TG 50:1TG 50:1ME583431--11.96855.74
TG 50:2TG 50:2ME583432--11.71853.7242
TG 50:3TG 50:3ME583433--11.49851.7078
TG 50:5TG 50:5ME583434--11.05847.6772
TG 50:6TG 50:6ME583435--10.93845.6618
TG 51:0TG 51:0ME583436--12.37871.7714
TG 51:1TG 51:1ME583437--12.12869.7562
TG 51:2TG 51:2ME583438--11.88867.7402
TG 51:3TG 51:3ME583439--11.64865.7245
TG 51:4TG 51:4ME583440--11.41863.7087
TG 52:0TG 52:0ME583441--12.58885.7868
TG 52:1TG 52:1ME583442--12.3883.7711
TG 52:2TG 52:2ME583443--12.05881.7554
TG 52:3TG 52:3ME583444--11.81879.7398
TG 52:4TG 52:4ME583445--11.57877.7235
TG 52:6TG 52:6ME583446--11.14873.693
TG 52:7TG 52:7ME583447--11.02871.6777
TG 53:2TG 53:2ME583448--12.22895.7715
TG 53:3TG 53:3ME583449--11.97893.7559
TG 54:1TG 54:1ME583450--12.67911.8027
TG 54:2TG 54:2ME583451--12.4909.7868
TG 54:3TG 54:3ME583452--12.14907.7711
TG 54:4TG 54:4ME583453--11.9905.7555
TG 54:5TG 54:5ME583454--11.66903.7398
TG 54:6TG 54:6ME583455--11.43901.7234
TG 54:8TG 54:8ME583456--11.01897.6934
TG 54:9TG 54:9ME583457--10.81895.6782
TG 55:3TG 55:3ME583458--12.32921.7875
TG 56:1TG 56:1ME583459--13.08939.8347
TG 56:10TG 56:10ME583460--11.04921.6944
TG 56:2TG 56:2ME583461--12.78937.8183
TG 56:3TG 56:3ME583462--12.49935.8036
TG 56:4TG 56:4ME583463--12.23933.7869
TG 56:5_aTG 56:5ME583464--12.01931.7708
TG 56:5_bTG 56:5ME583465--12.1931.7714
TG 56:6TG 56:6ME583466--11.86929.7544
TG 56:7TG 56:7ME583467--11.63927.7388
TG 56:8TG 56:8ME583468--11.45925.7239
TG 56:9TG 56:9ME583469--11.19923.7091
TG 57:2TG 57:2ME583470--12.98951.8345
TG 58:1TG 58:1ME583471--13.51967.8656
TG 58:10TG 58:10ME583472--11.31949.7239
TG 58:11TG 58:11ME583473--11.16947.7089
TG 58:2TG 58:2ME583474--13.19965.85
TG 58:3TG 58:3ME583475--12.89963.8346
TG 58:6TG 58:6ME583476--12.12957.786999999999
TG 58:7_aTG 58:7ME583477--11.87955.7703
TG 58:7_bTG 58:7ME583478--12955.7715
TG 58:8TG 58:8ME583479--11.76953.7555
TG 58:9TG 58:9ME583480--11.53951.7383
TG 60:12TG 60:12ME583481--11.29973.725
TG 60:2TG 60:2ME583482--13.64993.8813
TG 60:3TG 60:3ME583483--13.31991.8653
TG 62:3TG 62:3ME583484--13.781019.8966


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-methylhistidine1-MethylhistidineME583488--3.175744681168.07785
1-methylurate1-Methyluric acidME583489--4.448059701181.03671
1-methylxanthine1-MethylxanthineME583490--3.74575165.0418
2-(3-hydroxyphenyl)acetic acid (mHPAA)-ME583586--4.36151.0402
2-aminoadipatealpha-Aminoadipic acidME583491--4.998153846160.06153
2-aminobutyrate2-Aminobutyric acidME583492--2.85102.0561
2-aminoheptanoate2-Aminoheptanoic acidME583493--2.363035714144.103
2-hydroxy-3-methylbutyrate/hydroxyisovalerate-ME583494--3.3117.0558
2-hydroxy-3-methylpentanoate/hydroxyisocaproate-ME583495--3.25131.0715
2-hydroxyglutarate2-Hydroxyglutaric acidME583496--6.579850746147.0299
2-isopropylmalate2-Isopropylmalic acidME583497--6.770384615175.0612
3-3-hydroxyphenylpropionate3-(3-Hydroxyphenyl)propanoic acidME583498--4.144042553165.05572
3-hydroxymethylglutarate3-Hydroxymethylglutaric acidME583587--6.41161.0457
3-methyladipate/pimelate-ME583499--6.492686567159.06628
3-phosphoglycerate3-Phosphoglyceric acidME583500--8.819714286184.98566
4-hydroxybenzaldehyde4-HydroxybenzaldehydeME583501--2.385820896121.0295
4-hydroxybenzeneacetonitrile4-HydroxybenzeneacetonitrileME583502--1.156086957132.04549
4-pyridoxate4-Pyridoxic acidME583503--3.39182.0461
5-dodecenoate5-Dodecenoic acidME583588--3.1197.1549
6-phosphogluconate6-Phosphogluconic acidME583504--8.454117647275.01736
7-methylxanthine7-MethylxanthineME583505--2.437857143165.0418
acesulfameAcesulfameME583589--3.1161.9868
acetaminophen glucuronidep-AcetamidophenylglucuronideME583506--4.290909091326.08814
aconitatetrans-Aconitic acidME583507--8.7292173.00916
adenineAdenineME583508--2.147368421134.04722
adipate/methylglutarate-ME583509--6.423145.0507971
adonitol/arabitol-ME583510--1.67151.0613
ADPADPME583511--9.406433333426.0227521
alpha-glycerophosphatesn-Glycero-3-phosphateME583512--6.980666667171.0064
alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxy...-ME583513--3.503283582103.04007
alpha-keto-beta-methylvalerate/alpha-ketoisocaproa...-ME583514--3.125074627129.05572
alpha-ketoglutarate2-Oxoglutaric acidME583515--7.129076923145.01425
alpha-ketoisovalerateKetoisovaleric acidME583516--3.159666667115.04007
AMPAMPME583517--7.32346.0563
anhydroDglucose-ME583518--6.454328358161.04555
aspartateAspartic acidME583519--4.89132.0304
ATPATPME583520--11.36178571505.98847
butyrateButyric acidME583590--3.5487.0452
chenodeoxycholate/deoxycholateDeoxycholic acidME583521--3.782391.28538
citrate/isocitrateCitric acid/Isocitric acidME583522--8.683134328191.01973
CMPCMPME583523--7.215217391322.04457
CMPF3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME583524--6.573220339239.0925
erythronate/threonate-ME583525--4.018208955135.0299
fructose/glucose/galactoseHexoseME583526--1.973731343179.05611
fucoseFucoseME583591--1.52163.0614
fumarate/maleateFumaric acidME583527--6.6083115.0037836
GDPGDPME583528--10.26285714442.01705
gentisateGentisic acidME583529--3.4009375153.01933
glucuronateGlucuronic acidME583530--4.626825397193.03538
glutamateGlutamic acidME583531--4.874029851146.04588
glutathione oxidizedGlutathioneME583532--7.499285714611.14468
glutathione reducedGlutathioneME583533--5.666306.07653
glycerateGlyceric acidME583534--4.02105.0194
glycocholateGlycocholic acidME583535--3.697258065464.30176
glycocholate-d4Glycocholic acidME583487--3.68468.3274
glycodeoxycholate/glycochenodeoxycholateGlycodeoxycholic acidME583536--3.620566038448.30685
GMPGMPME583537--8.135362.05072
hexose diphosphate-ME583538--9.705625338.98877
hexose monophosphateFructose 6-phosphateME583539--7.065818182259.02244
hippurateHippuric acidME583540--3.631076923178.05097
homovanillateHomovanillic acidME583541--4.19181.0509
hydrocinnamateHydrocinnamic acidME583592--3.55149.0609
hypoxanthineHypoxanthineME583542--3.05135.0314
IMPIMPME583543--8.371818182347.03982
indole-3-propionate3-Indolepropionic acidME583544--4.24188.0719
indolelactateIndolelactic acidME583545--4.174745763204.06662
indoxylsulfateIndoxyl sulfateME583546--3.648333333212.0023
inosineInosineME583547--3.160357143267.07349
inosine-15N4InosineME583486--3.148955224271.06163
inositolInositolME583548--2.4675179.05611
isovalerate/valerate/methylbutyrate-ME583549--3.436060606101.0608
kynurenineKynurenineME583550--3.009166667207.07752
lactateLactic acidME583551--3.6889.0245
lactoseLactoseME583593--2.24341.1095
malateMalic acidME583552--6.61133.0144
malonateMalonic acidME583553--6.845820896103.00368
mesaconateMesaconic acidME583554--6.539402985129.01933
N-acetylglutamateN-Acetylglutamic acidME583555--6.352537313188.05645
Ne-Ne dimethyllysine-ME583556--5.55173.12955
nicotinateNicotinic acidME583557--3.817368421122.02475
oxalateOxalic acidME583558--7.14402985188.98803
pantothenatePantothenic acidME583559--3.68218.1035
pentose monophosphateRibose 5-phosphateME583560--7.041515152229.01188
PEPPhosphoenolpyruvic acidME583561--9.281666667166.9751
phenyllactatePhenyllactic acidME583562--3.474920635165.05572
propionatePropionic acidME583563--3.72630769273.0295
pseudouridinePseudouridineME583564--2.17243.0623
pyruvatePyruvic acidME583565--5.19333333387.00877
quinateQuinic acidME583566--4.018536585191.05611
quinolinateQuinolinic acidME583567--7.153538462166.01458
saccharinSaccharinME583594--3.36181.992
salicylurateSalicyluric acidME583568--5.706896552194.04588
sebacateSebacic acidME583569--6.418656716201.11323
sorbitolSorbitolME583570--1.87181.072
suberateSuberic acidME583571--6.447014925173.08193
succinateSuccinic acidME583572--6.602985075117.01933
sucrose/lactose/trehalose-ME583573--2.295522388341.10893
tartarateTartaric acidME583574--6.764285714149.00916
taurocholateTaurocholic acidME583575--3.38125514.2844
taurodeoxycholate/taurochenodeoxycholate-ME583576--3.21375498.28948
threitolThreitolME583577--1.435454545121.05063
thymineThymineME583578--1.24125.0358
thymine-d4ThymineME583485--1.3129.0609
UDPUDPME583579--9.366666667402.99492
UMPUMPME583580--7.311875323.02859
uracilUracilME583581--1.544328358111.02
urateUric acidME583582--4.88167.0212
uridineUridineME583583--1.68243.0623
valerate/isovalerate-ME583595--3.44101.0608
xanthineXanthineME583584--4.639402985151.02615
xanthurenateXanthurenic acidME583585--7.912826087204.03023


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
10-HDoHE10-HDoHEME583681--11.61343.2277
10-Hydroxystearic Acid-ME583596--12.57299.2591
10Z-Heptadecenoic acid10Z-Heptadecenoic acidME583597--14.51267.233
11-HDoHE11-HDoHEME583598--11.74343.2276
11-HETE11-HETEME583599--11.62319.2279
12,13-diHOME12,13-DiHOMEME583600--9.79313.2386
12-HEPE12-HEPEME583682--11.04317.212
12-HETE12-HETEME583601--11.74319.2277
13-HODE13-HODEME583602--11.25295.2276
15-HETE15-HETEME583603--11.44319.2278
15R-15-methyl PGA2 [iSTD]-ME583604--9.35347.2228
15R-15-methyl PGF2a [iSTD]-ME583605--7.85367.2489
15S-15-methyl PGD2 [iSTD]-ME583606--8.3365.2333
15S-15-methyl PGE1 [iSTD]-ME583607--8.16367.249
15S-15-methyl PGE2 [iSTD]-ME583608--8.04365.2332
17-MethylstearateXi-17-Methyloctadecanoic acidME583609--16.2297.2797
2-Aminooctanoic acid2-Aminocaprylic acidME583689--1.39158.1175
2-Hydroxyibuprofen2-HydroxyibuprofenME583683--5.82221.1178
2-Hydroxymyristic acid2-Hydroxymyristic acidME583611--12.16243.1962
2-Hydroxyoctanoic acid2-Hydroxyoctanoic acidME583684--6.39159.1015
2-Hydroxy palmitic acid2-Hydroxypalmitic acidME583610--13.64271.228
3-Hydroxydecanoic acid3-Hydroxydecanoic acidME583690--8.14187.1331
3-Hydroxyoctanoic acid3-Hydroxyoctanoic acidME583691--5.5159.1015
3-Methyladipic acid3-Methyladipic acidME583612--1.32159.0655
3S-Hydroxyhexanoic acid3S-Hydroxyhexanoic acidME583613--1.55131.0701
4,7,10,13,16-Docosapentaenoic acid4,7,10,13,16-Docosapentaenoic acidME583614--14.18329.2485
5-Dodecenoic acid5-Dodecenoic acidME583615--11.33197.1538
7-Ketodeoxycholic acid7-Ketodeoxycholic acidME583616--7.97405.2651
9,10-DiHOME9,10-DiHOMEME583617--9.99313.2386
9-cis-Retinoic acid9-cis-Retinoic acidME583618--12.55299.2016
AcesulfameAcesulfameME583619--1.01161.9856
Adrenic acidAdrenic acidME583620--14.83331.2642
alpha-Linolenic acidalpha-Linolenic acidME583621--13.46277.2172
alpha-N-Phenylacetylglutaminealpha-N-PhenylacetylglutamineME583622--1.36263.1038
Arachidic acidArachidic acidME583623--16.79311.2956
Arachidonic acidArachidonic acidME583624--14.04303.2328
Azelaic acidAzelaic acidME583625--3.54187.0967
Capric acidCapric acidME583626--10.6171.1382
Caprylic acidCaprylic acidME583627--8.68143.1065
Chenodeoxycholic acidChenodeoxycholic acidME583628--10.17391.2854
Cholic acidCholic acidME583629--8.75407.2803
CinnamoylglycineCinnamoylglycineME583685--3.08204.0671
cis-Erucic acidcis-Erucic acidME583630--16.78337.3113
Dehydroepiandrosterone sulfateDehydroepiandrosterone sulfateME583686--8.05367.1585
Deoxycholic acidDeoxycholic acidME583631--10.38391.2857
Docosahexaenoic acidDocosahexaenoic acidME583632--13.82327.2329
Dodecanedioic acidDodecanedioic acidME583633--7.62229.1441
Eicosadienoic acidEicosadienoic acidME583634--15.19307.2642
Eicosanedioic acidEicosanedioic acidME583635--12.92341.2697
Eicosapentaenoic acidEicosapentaenoic acidME583636--13.33301.2173
Eicosatrienoic acidEicosatrienoic acidME583637--14.53305.2485
Eicosenoic acidEicosenoic acidME583638--15.93309.2798
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME583639--8.85448.3069
Glycocholic acidGlycocholic acidME583640--7.72464.3016
Glycodeoxycholic acidGlycodeoxycholic acidME583641--9.09448.307
Glycolithocholic acidGlycolithocholic acidME583642--10.5432.3118
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME583643--7.69448.3069
Hexadecanedioic acidHexadecanedioic acidME583644--10.39285.2072
HexoseHexoseME583645--0.77179.0552
Hydrocinnamic acidHydrocinnamic acidME583693--5.85149.0604
Hyodeoxycholic acidHyodeoxycholic acidME583646--8.87391.2859
IbuprofenIbuprofenME583687--9.99205.1228
Indoleacetic acidIndoleacetic acidME583647--3.76174.0551
Juniperic acidJuniperic acidME583648--10.83271.228
Lauric acidLauric acidME583649--12.26199.1695
Levulinic acidLevulinic acidME583650--0.99115.0388
Linoleic acidLinoleic acidME583651--14.22279.2327
Mandelic acidMandelic acidME583694--1.82151.0388
Margaric acidMargaric acidME583652--15.42269.2486
Methyl dodecanoateMethyl dodecanoateME583653--12.76213.1855
Myristic acidMyristic acidME583654--13.71227.201
Myristoleic acidMyristoleic acidME583655--12.63225.1855
N-AcetylalanineN-AcetylalanineME583656--0.98130.0497
Nervonic acidNervonic acidME583657--17.74365.3423
N-FormylmethionineN-FormylmethionineME583692--1.11176.0378
Nonadeca-10Z-enoic acidNonadeca-10Z-enoic acidME583658--15.52295.2641
Nonadecylic acidNonadecylic acidME583659--16.34297.2798
Oleic acidOleic acidME583660--15.04281.2484
OxypurinolOxypurinolME583661--0.81151.0249
Palmitic acidPalmitic acidME583662--14.91255.2326
Palmitoleic acidPalmitoleic acidME583663--13.93253.217
Palmitoyl-EAPalmitoyl-EAME583664--13.42344.2806
PantoprazolePantoprazoleME583695--6.07382.0679
Pentadecylic acidPentadecylic acidME583665--14.34241.2169
Phenyllactic acidPhenyllactic acidME583666--2.21165.0547
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME583667--1.38151.0388
Phytanic acidPhytanic acidME583668--16.15311.2955
RibothymidineRibothymidineME583669--0.97257.0779
SaccharinSaccharinME583670--1.06181.9908
Salicylic acidSalicylic acidME583671--2.85137.0232
Salicyluric acidSalicyluric acidME583696--1.98194.0463
Sebacic acidSebacic acidME583672--5.72201.1126
Sphingosine 1-phosphateSphingosine 1-phosphateME583697--10.31378.2415
Stearic acidStearic acidME583673--15.9283.2643
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME583674--8.02498.2898
Taurocholic acidTaurocholic acidME583675--7.08514.2844
Taurodeoxycholic acidTaurodeoxycholic acidME583676--8.28498.2898
Taurohyodeoxycholic acidTaurohyodeoxycholic acidME583698--6.96498.2897
Taurolithocholic acidTaurolithocholic acidME583677--9.5482.2935
Tetradecanedioic acidTetradecanedioic acidME583678--9.05257.1758
TheophyllineTheophyllineME583688--1.01179.0564
Tridecylic acidTridecylic acidME583679--13.01213.1855
undecanedionateUndecanedioic acidME583680--6.79215.1283


  logo