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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
1,7-Dimethyluric acid1,7-Dimethyluric acidME367555--3.49197.0676
1-Methyladenosine1-MethyladenosineME367549--7.59282.1198
1-Methylguanine1-MethylguanineME367553--5.09166.0724
1-Methylhistamine1-MethylhistamineME367471--10.55126.1026
1-Methyl nicotinamide1-Methyl nicotinamideME367488--8.13137.0710
2-Aminooctanoic acid2-Aminooctanoic acidME367571--6.37160.1333
2-Methylguanosine2-MethylguanosineME367550--4.94298.1147
3-Amino-isobutanoic acid3-Amino-isobutanoic acidME367461--7.67104.0706
3-Dehydroxycarnitine3-DehydroxycarnitineME367489--8.72146.1176
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME367472--1.72154.0497
3-Methylhistidine3-MethylhistidineME367551--9.91170.0925
3-(N-Acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME367556--4.92313.0856
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME367559--3.37146.0814
4-Aminohippuric acid4-Aminohippuric acidME367557--2.80195.0763
4-Hydroxy-3-methylacetophenone4-Hydroxy-3-methylacetophenoneME367558--1.64151.0756
5-Acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME367564--2.13199.0826
5-Hydroxymethyl-4-methyluracil5-Hydroxymethyl-4-methyluracilME367561--3.45157.0608
5-Hydroxytryptophol5-HydroxytryptopholME367562--1.83178.0865
5-Methylcytidine5-MethylcytidineME367563--5.88258.1085
6,8-Dihydroxypurine6,8-DihydroxypurineME367565--4.16153.0412
7-Methylguanine7-MethylguanineME367566--5.63166.0725
7-Methylxanthine7-MethylxanthineME367567--3.47167.0568
AcetaminophenAcetaminophenME367568--1.88152.0706
AdenosineAdenosineME367483--4.86268.1041
AdrenochromeAdrenochromeME367569--9.53180.0655
AlanineAlanineME367439--7.7090.0556
AllantoinAllantoinME367468--3.40159.0513
alpha-N-Phenylacetylglutaminealpha-N-PhenylacetylglutamineME367614--4.52265.1184
ArginineArginineME367447--9.14175.1191
AsparagineAsparagineME367444--7.87133.0609
BetaineBetaineME367475--8.85118.0866
BilirubinBilirubinME367570--1.59585.2709
BiliverdinBiliverdinME367607--1.86583.2556
CaffeineCaffeineME367608--2.73195.0882
CAR(10:0)CAR 10:0ME367505--7.07316.2484
CAR(10:2)CAR 10:2ME367506--7.20312.2172
CAR(12:0)CAR 12:0ME367507--6.91344.2797
CAR(12:1)CAR 12:1ME367508--6.93342.2641
CAR(14:0)CAR 14:0ME367509--6.76372.3112
CAR(14:1)CAR 14:1ME367510--6.76370.2954
CAR(14:2)CAR 14:2ME367511--6.84368.2797
CAR(16:0)CAR 16:0ME367512--6.65400.3425
CAR(18:0)CAR 18:0ME367513--6.55428.3735
CAR(18:1)CAR 18:1ME367514--9.57426.3578
CAR(18:2)CAR 18:2ME367515--6.63424.3422
CAR(2:0)CAR 2:0ME367493--8.62204.1232
CAR(26:0)CAR 26:0ME367516--6.25540.4993
CAR(3:0)CAR 3:0ME367494--8.27218.1388
CAR(4:0)CAR 4:0ME367496--7.95232.1544
CAR(4:0(OH))CAR 4:0;OHME367497--8.80248.1495
CAR(5:0)CAR 5:0ME367498--7.71246.1700
CAR(5:1)CAR 5:1ME367499--7.82244.1544
CAR(6:0)CAR 6:0ME367501--7.51260.1857
CAR(7:0)CAR 7:0ME367502--7.37274.2016
CAR(8:0)CAR 8:0ME367503--7.24288.2170
CAR(9:0)CAR 9:0ME367504--7.10302.2322
CAR(DC3:0(2Me))CAR DC3:0;2MeME367495--8.52262.1294
CAR(DC5:0)CAR DC5:0ME367500--8.28276.1444
CarnitineCarnitineME367492--8.77162.1125
CholineCholineME367476--8.17104.1075
Choline phosphateCholine phosphateME367477--12.55184.0733
CitrullineCitrullineME367458--8.27176.1031
CotinineCotinineME367486--4.92177.1026
CreatineCreatineME367479--8.22132.0770
CreatinineCreatinineME367480--6.35114.0666
CytosineCytosineME367484--6.04112.0512
DimethylarginineDimethylarginineME367465--9.73203.1503
DimethylglycineDimethylglycineME367464--8.42104.0711
DMGVDMGVME367572--7.85202.1186
EctoineEctoineME367573--8.83143.0816
gamma-Aminobutyric acidgamma-Aminobutyric acidME367462--7.54104.0711
Glutamic acidGlutamic acidME367443--7.52148.0605
GlutamineGlutamineME367445--7.94147.0765
GlycineGlycineME367438--7.8176.0401
Guanidoacetic acidGuanidoacetic acidME367574--7.75118.0615
GuanineGuanineME367575--5.25152.0567
HistamineHistamineME367470--9.18112.0874
HistidineHistidineME367446--9.48156.0768
HomocitrullineHomocitrullineME367609--9.25190.1186
HydroxyprolineHydroxyprolineME367456--7.79132.0657
HypotaurineHypotaurineME367611--7.86110.0270
HypoxanthineHypoxanthineME367576--4.67137.0459
Imidazoleacetic acidImidazoleacetic acidME367577--8.06127.0502
Imidazolepropionic acidImidazolepropionic acidME367612--7.35141.0661
IndoleIndoleME367578--1.64118.0655
Indoleacetic acidIndoleacetic acidME367579--1.71176.0706
InosineInosineME367580--4.72269.0881
IsoleucineIsoleucineME367451--7.02132.1019
Kynurenic acidKynurenic acidME367469--5.15190.0500
LeucineLeucineME367450--6.89132.1019
Linoleoyl-EALinoleoyl-EAME367581--1.87324.2901
LPC(0:0/16:0)LPC 0:0/16:0ME367518--7.73496.3402
LPC(0:0/18:2)LPC 0:0/18:2ME367526--7.71520.3391
LPC(14:0)LPC 14:0ME367517--7.87468.3089
LPC(16:1)LPC 16:1ME367519--7.78494.3246
LPC(18:0)LPC 18:0ME367521--7.61524.3717
LPC(18:1)LPC 18:1ME367522--7.65522.3558
LPC(18:3)LPC 18:3ME367525--7.74518.3226
LPC(20:1)LPC 20:1ME367527--7.56550.3875
LPC(20:3)LPC 20:3ME367528--7.63546.3557
LPC(20:4)LPC 20:4ME367529--6.65544.3388
LPC(22:4)LPC 22:4ME367530--7.57572.3718
LPC(22:5)LPC 22:5ME367531--7.60570.3560
LPC(22:6)LPC 22:6ME367532--7.60568.3401
LPC(24:0)LPC 24:0ME367533--7.32608.4656
LPC(P-16:0)/LPC(O-16:1)LPC P-16:0 or LPC O-16:1ME367520--7.57480.3453
LPC(P-18:0)/LPC(O-18:1)_ALPC P-18:0 or LPC O-18:1ME367523--7.77508.3768
LPC(P-18:0)/LPC(O-18:1)_BLPC P-18:0 or LPC O-18:1ME367524--7.42508.3760
LPE(16:0)LPE 16:0ME367534--6.22454.2932
LPE(18:0)_ALPE 18:0ME367535--6.15482.3249
LPE(18:0)_BLPE 18:0ME367536--7.79482.3247
LPE(18:1)LPE 18:1ME367537--6.18480.3093
LPE(18:2)LPE 18:2ME367538--6.21478.2933
LPE(18:3)LPE 18:3ME367539--6.23476.2773
LPE(20:1)LPE 20:1ME367540--7.72508.3406
LPE(20:4)LPE 20:4ME367541--6.15502.2931
LysineLysineME367448--9.36147.1129
MethionineMethionineME367442--6.97150.0584
Methionine sulfoxideMethionine sulfoxideME367490--8.57166.0534
MethylguanidineMethylguanidineME367552--6.7274.0721
Methylimidazoleacetic acidMethylimidazoleacetic acidME367613--8.78141.0659
Methyl N-methylanthranilateMethyl N-methylanthranilateME367582--1.69166.0863
Myristoleic acidMyristoleic acidME367583--1.60227.2006
N1-AcetylspermidineN1-AcetylspermidineME367591--9.84188.1758
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME367590--4.16153.0660
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME367592--10.40287.2446
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME367593--5.22312.1303
N4-AcetylcytidineN4-AcetylcytidineME367594--4.12286.1035
N6-AcetyllysineN6-AcetyllysineME367595--8.29189.1235
N-6-TrimethyllysineN-6-TrimethyllysineME367596--11.25189.1599
N-AcetylarginineN-AcetylarginineME367586--8.07217.1298
N-Acetyl-D-galactosamineN-Acetyl-D-galactosamineME367587--5.25222.0972
N-Acetyl-D-tryptophanN-Acetyl-D-tryptophanME367588--2.78247.1078
N-AcetylglycineN-AcetylglycineME367463--4.40118.0503
N-AcetylputrescineN-AcetylputrescineME367584--7.83131.1181
NiacinamideNiacinamideME367474--3.61123.0556
N-LauroylglycineN-LauroylglycineME367585--2.24258.2063
N-Methyl-prolineN-Methyl-prolineME367589--8.50130.0865
OrnithineOrnithineME367457--9.31133.0972
p-Acetamidophenylglucuronidep-AcetamidophenylglucuronideME367560--5.34328.1033
PantothenolPantothenolME367597--3.73206.1389
PhenylalaninePhenylalanineME367452--6.65166.0863
phenylalanine-d8 [iSTD]-ME367437--6.66174.1366
PhytosphingosinePhytosphingosineME367598--5.83318.3003
Pipecolic acidPipecolic acidME367487--7.87130.0865
PiperinePiperineME367615--1.85286.1439
ProlineProlineME367455--7.99116.0710
PseudouridinePseudouridineME367599--4.02245.0770
PterinPterinME367600--4.62164.0567
PutrescinePutrescineME367491--9.3689.1080
PyridoxinePyridoxineME367601--6.06170.0812
QuinineQuinineME367616--6.29325.1909
RibothymidineRibothymidineME367602--2.85259.0925
SerineSerineME367440--7.57106.0504
SerotoninSerotoninME367460--6.20177.1027
SM(d18:1/14:0)SM 18:1;O2/14:0ME367542--7.29675.5440
SM(d18:1/16:0)SM 18:1;O2/16:0ME367544--7.23703.5752
SM(d18:1/16:1)SM 18:1;O2/16:1ME367543--7.24701.5597
SM(d18:1/18:0)SM 18:1;O2/18:0ME367546--7.10731.6063
SM(d18:1/18:1)SM 18:1;O2/18:1ME367545--7.10729.5907
SM(d18:1/20:0)SM 18:1;O2/20:0ME367547--7.05759.6376
SM(d18:1/22:0)SM 18:1;O2/22:0ME367548--7.01787.6681
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME367478--10.43258.1103
SphinganineSphinganineME367603--5.73302.3060
SphingosineSphingosineME367617--5.71300.2899
Symmetric dimethyl-arginineSymmetric dimethyl-arginineME367466--9.65203.1503
TarginineTarginineME367467--9.35189.1347
TaurineTaurineME367459--5.92126.0222
ThreonineThreonineME367441--7.54120.0659
ThyroxineThyroxineME367481--5.62777.6941
trans-3-Hydroxycotininetrans-3-HydroxycotinineME367610--4.83193.0976
TrigonellineTrigonellineME367618--8.73138.0550
Trimethylamine N-oxideTrimethylamine N-oxideME367482--8.0376.0765
TrimethylbenzeneTrimethylbenzeneME367554--1.64121.1015
TryptophanTryptophanME367454--6.44205.0972
TyrosineTyrosineME367453--6.73182.0812
Ureidopropionic acidUreidopropionic acidME367473--3.99133.0612
Uric acidUric acidME367604--4.13169.0357
Urocanic acidUrocanic acidME367605--4.37139.0503
ValineValineME367449--7.27118.0863
valine-d8 [iSTD]-ME367436--7.33126.1367
XanthineXanthineME367606--3.56153.0411
XanthosineXanthosineME367485--4.20285.0830


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
7-dehydro-desmosterol7-Dehydro-desmosterolME367718--6.64383.3310
CE(14:0)CE 14:0ME367729--11.64619.5423
CE(16:0)CE 16:0ME367731--12.07647.5738
CE(16:1)CE 16:1ME367730--11.74645.5579
CE(18:0)CE 18:0ME367735--12.52675.6049
CE(18:1)CE 18:1ME367734--12.16673.5891
CE(18:2)CE 18:2ME367733--11.83671.5734
CE(18:3)CE 18:3ME367732--11.58669.5578
CE(20:3)CE 20:3ME367738--11.95697.5891
CE(20:4)CE 20:4ME367737--11.69695.5733
CE(20:5)CE 20:5ME367736--11.43693.5578
CE(22:4)CE 22:4ME367741--12.06723.6050
CE(22:5)CE 22:5ME367740--11.76721.5889
CE(22:6)CE 22:6ME367739--11.55719.5734
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME367714--8.28538.5193
Cer(d18:1/22:0)Cer 18:1;O2/22:0ME367715--9.65622.6133
Cer(d18:1/24:0)Cer 18:1;O2/24:0ME367716--10.08650.6446
Cer(d18:1/24:1)Cer 18:1;O2/24:1ME367717--9.71648.6291
DG(30:0)DG 30:0ME367747--8.63563.4645
DG(32:0)DG 32:0ME367749--9.10591.4959
DG(32:1)DG 32:1ME367748--8.79589.4802
DG(34:0)DG 34:0ME367753--9.50619.5272
DG(34:1)DG 34:1ME367752--9.22617.5116
DG(34:2)DG 34:2ME367751--8.93615.4957
DG(34:3)DG 34:3ME367750--8.62613.4801
DG(36:0)DG 36:0ME367757--9.92647.5586
DG(36:1)DG 36:1ME367756--9.66645.5428
DG(36:2)DG 36:2ME367755--9.35643.5272
DG(36:3)DG 36:3ME367754--9.06641.5114
DG(36:4)DG 36:4ME367758--8.77639.4958
DG(38:4)DG 38:4ME367760--9.32667.5273
DG(38:5)DG 38:5ME367759--9.02665.5114
LPC(14:0)LPC 14:0ME367620--4.34468.3087
LPC(16:0)LPC 16:0ME367622--4.83496.3399
LPC(16:1)LPC 16:1ME367621--4.49494.3243
LPC(18:0)LPC 18:0ME367625--5.40524.3714
LPC(18:1)LPC 18:1ME367624--5.00522.3557
LPC(18:2)LPC 18:2ME367623--4.67520.3400
LPC(20:3)LPC 20:3ME367628--4.83518.3218
LPC(20:4)LPC 20:4ME367627--4.69544.3404
LPC(20:5)LPC 20:5ME367626--4.56542.3225
LPC(22:6)LPC 22:6ME367629--4.67568.3403
LPE(16:0)LPE 16:0ME367630--4.85454.2930
LPE(18:0)LPE 18:0ME367633--5.41482.3245
LPE(18:1)LPE 18:1ME367632--5.01480.3086
LPE(18:2)LPE 18:2ME367631--4.68478.2929
LPE(20:0)LPE 20:0ME367635--5.11510.3557
LPE(20:4)LPE 20:4ME367634--4.70502.2928
LPE(22:0)LPE 22:0ME367637--5.71538.3870
LPE(22:6)LPE 22:6ME367636--4.68526.2925
MG(14:1)_AMG 14:1ME367743--4.60323.2193
MG(14:1)_BMG 14:1ME367742--4.52323.2193
MG(16:1)MG 16:1ME367744--4.92339.2508
MG(18:0)MG 18:0ME367745--5.82381.2975
MG(22:1)MG 22:1ME367746--6.88435.3444
PC(12:0/12:0)PC 12:0/12:0ME367619--6.47622.4443
PC(30:0)PC 30:0ME367639--8.11706.5378
PC(30:1)PC 30:1ME367638--7.77704.5224
PC(32:0)PC 32:0ME367642--8.58734.5692
PC(32:1)PC 32:1ME367641--8.27732.5536
PC(32:2)PC 32:2ME367640--7.93730.5380
PC(34:0)PC 34:0ME367648--9.03762.6003
PC(34:1)PC 34:1ME367647--8.73760.5850
PC(34:2)PC 34:2ME367645--8.42758.5692
PC(34:2-OH)PC 34:2;OME367646--7.80774.5640
PC(34:3)PC 34:3ME367644--8.12756.5534
PC(34:4)PC 34:4ME367643--7.95754.5378
PC(36:0)PC 36:0ME367655--9.45790.6320
PC(36:1)PC 36:1ME367654--9.17788.6163
PC(36:2)PC 36:2ME367653--8.87786.6007
PC(36:3)PC 36:3ME367652--8.60784.5851
PC(36:4)_APC 36:4ME367649--8.23782.5688
PC(36:4)_BPC 36:4ME367650--8.44782.5686
PC(36:4-OH)PC 36:4;OME367651--8.13798.5616
PC(38:2)PC 38:2ME367659--9.25814.6318
PC(38:3)PC 38:3ME367658--9.03812.6159
PC(38:4)PC 38:4ME367657--8.90810.5994
PC(38:6)PC 38:6ME367656--8.37806.5686
PC(40:10)PC 40:10ME367660--8.07826.5356
PC(40:6)PC 40:6ME367662--8.83834.5994
PC(40:9)PC 40:9ME367661--8.37828.5506
PC(P-34:0)/PC(O-34:1)_APC P-34:0 or PC O-34:1ME367667--9.01746.6055
PC(P-34:0)/PC(O-34:1)_BPC P-34:0 or PC O-34:1ME367668--9.32746.6056
PC(P-34:1)/PC(O-34:2)PC P-34:1 or PC O-34:2ME367666--9.02744.5899
PC(P-34:2)/PC(O-34:3)PC P-34:2 or PC O-34:3ME367665--8.71742.5745
PC(P-34:3)/PC(O-34:4)PC P-34:3 or PC O-34:4ME367664--8.64740.5557
PC(P-34:4)/PC(O-34:5)PC P-34:4 or PC O-34:5ME367663--8.95738.5430
PC(P-36:0)/PC(O-36:1)PC P-36:0 or PC O-36:1ME367674--9.46774.6344
PC(P-36:1)/PC(O-36:2)PC P-36:1 or PC O-36:2ME367673--9.17772.6210
PC(P-36:2)/PC(O-36:3)PC P-36:2 or PC O-36:3ME367672--9.16770.6055
PC(P-36:3)/PC(O-36:4)PC P-36:3 or PC O-36:4ME367671--9.03768.5895
PC(P-36:4)/PC(O-36:5)_APC P-36:4 or PC O-36:5ME367669--8.47766.5730
PC(P-36:4)/PC(O-36:5)_BPC P-36:4 or PC O-36:5ME367670--8.72766.5735
PC(P-38:3)/PC(O-38:4)PC P-38:3 or PC O-38:4ME367677--9.20796.6214
PC(P-38:5)/PC(O-38:6)PC P-38:5 or PC O-38:6ME367676--8.83792.5886
PC(P-38:6)/PC(O-38:7)PC P-38:6 or PC O-38:7ME367675--8.65790.5740
PC(P-40:6)/PC(O-40:7)PC P-40:6 or PC O-40:7ME367678--9.07818.6038
PE(32:0)PE 32:0ME367679--7.85692.5223
PE(34:0)PE 34:0ME367681--8.35720.5536
PE(34:2)PE 34:2ME367680--8.42716.5215
PE(36:0)PE 36:0ME367686--8.76748.5851
PE(36:1)PE 36:1ME367685--9.16746.5703
PE(36:2)PE 36:2ME367684--8.87744.5542
PE(36:3)PE 36:3ME367683--8.56742.5370
PE(36:4)PE 36:4ME367682--8.45740.5234
PE(38:2)PE 38:2ME367690--8.65772.5846
PE(38:4)PE 38:4ME367689--8.90768.5544
PE(38:5)PE 38:5ME367688--8.58766.5387
PE(38:6)PE 38:6ME367687--8.38764.5221
PE(40:6)PE 40:6ME367691--8.83792.5530
PE(P-34:1)/PE(O-34:2)PE P-34:1 or PE O-34:2ME367693--9.02702.5430
PE(P-34:2)/PE(O-34:3)PE P-34:2 or PE O-34:3ME367692--8.72700.5268
PE(P-36:0)/PE(O-36:1)PE P-36:0 or PE O-36:1ME367698--9.05732.5888
PE(P-36:1)/PE(O-36:2)PE P-36:1 or PE O-36:2ME367697--9.44730.5745
PE(P-36:2)/PE(O-36:3)PE P-36:2 or PE O-36:3ME367696--9.16728.5588
PE(P-36:3)/PE(O-36:4)PE P-36:3 or PE O-36:4ME367695--8.84726.5434
PE(P-36:4)/PE(O-36:5)PE P-36:4 or PE O-36:5ME367694--8.73724.5277
PE(P-38:2)/PE(O-38:3)PE P-38:2 or PE O-38:3ME367702--8.94756.5906
PE(P-38:4)/PE(O-38:5)PE P-38:4 or PE O-38:5ME367701--9.17752.5589
PE(P-38:5)/PE(O-38:6)PE P-38:5 or PE O-38:6ME367700--8.85750.5434
PE(P-38:6)/PE(O-38:7)PE P-38:6 or PE O-38:7ME367699--8.66748.5275
PE(P-40:6)/PE(O-40:7)PE P-40:6 or PE O-40:7ME367703--9.10776.5586
PE(P-44:12)/PE(O-44:13)PE P-44:12 or PE O-44:13ME367704--8.22820.5251
PI(34:0)PI 34:0ME367706--8.87839.5681
PI(34:2)PI 34:2ME367705--8.07835.5325
PI(36:4)PI 36:4ME367707--8.10859.5315
PI(38:4)PI 38:4ME367708--8.61887.5626
PS(34:0)PS 34:0ME367709--8.15764.5472
PS(38:6)PS 38:6ME367710--8.02808.5070
PS(40:6)PS 40:6ME367711--8.51836.5382
PS(P-36:0)/PS(O-36:1)PS P-36:0 or PS O-36:1ME367713--8.13776.5793
PS(P-36:2)/PS(O-36:3)PS P-36:2 or PS O-36:3ME367712--7.84772.5481
SM(d18:1/14:0)SM 18:1;O2/14:0ME367719--7.65675.5435
SM(d18:1/16:0)SM 18:1;O2/16:0ME367721--8.14703.5747
SM(d18:1/16:1)SM 18:1;O2/16:1ME367720--7.80701.5592
SM(d18:1/18:0)SM 18:1;O2/18:0ME367723--8.64731.6060
SM(d18:1/18:1)SM 18:1;O2/18:1ME367722--8.31729.5904
SM(d18:1/20:0)SM 18:1;O2/20:0ME367724--9.16759.6374
SM(d18:1/22:0)SM 18:1;O2/22:0ME367726--9.54787.6681
SM(d18:1/22:1)SM 18:1;O2/22:1ME367725--9.26785.6531
SM(d18:1/24:0)SM 18:1;O2/24:0ME367728--9.97815.7002
SM(d18:1/24:1)SM 18:1;O2/24:1ME367727--9.59813.6843
TG(41:0)TG 41:0ME367761--10.75731.6157
TG(42:0)TG 42:0ME367762--10.94745.6313
TG(43:0)TG 43:0ME367765--11.10759.6471
TG(43:1)TG 43:1ME367764--10.85757.6314
TG(43:2)TG 43:2ME367763--10.59755.6156
TG(44:0)TG 44:0ME367768--11.28773.6626
TG(44:1)TG 44:1ME367767--11.04771.6470
TG(44:2)TG 44:2ME367766--10.77769.6314
TG(45:0)TG 45:0ME367772--11.43787.6782
TG(45:1)TG 45:1ME367771--11.20785.6626
TG(45:2)TG 45:2ME367770--10.95783.6469
TG(45:3)TG 45:3ME367769--10.70781.6309
TG(46:0)TG 46:0ME367777--11.61801.6942
TG(46:1)TG 46:1ME367776--11.37799.6782
TG(46:2)TG 46:2ME367775--11.13797.6627
TG(46:3)TG 46:3ME367774--10.88795.6471
TG(46:4)TG 46:4ME367773--10.62793.6315
TG(47:0)TG 47:0ME367780--11.76815.7094
TG(47:1)TG 47:1ME367779--11.53813.6941
TG(47:2)TG 47:2ME367778--11.28811.6782
TG(48:0)TG 48:0ME367786--11.95829.7252
TG(48:1)TG 48:1ME367785--11.70827.7094
TG(48:2)TG 48:2ME367784--11.46825.6939
TG(48:3)TG 48:3ME367783--11.21823.6779
TG(48:4)TG 48:4ME367782--10.96821.6627
TG(48:5)TG 48:5ME367781--10.85819.6469
TG(49:0)TG 49:0ME367790--12.09843.7408
TG(49:1)TG 49:1ME367789--11.87841.7257
TG(49:2)TG 49:2ME367788--11.61839.7101
TG(49:3)TG 49:3ME367787--11.38837.6943
TG(50:0)TG 50:0ME367797--12.30857.7567
TG(50:1)TG 50:1ME367796--12.04855.7409
TG(50:2)TG 50:2ME367795--11.78853.7250
TG(50:3)TG 50:3ME367794--11.55851.7086
TG(50:4)TG 50:4ME367793--11.31849.6937
TG(50:5)TG 50:5ME367792--11.06847.6783
TG(50:6)TG 50:6ME367791--10.92845.6627
TG(51:0)TG 51:0ME367801--12.46871.7722
TG(51:1)TG 51:1ME367800--12.20869.7567
TG(51:2)TG 51:2ME367799--11.96867.7408
TG(51:3)TG 51:3ME367798--11.71865.7253
TG(52:0)TG 52:0ME367809--12.68885.7881
TG(52:1)TG 52:1ME367808--12.40883.7722
TG(52:2)TG 52:2ME367807--12.15881.7564
TG(52:3)TG 52:3ME367806--11.90879.7407
TG(52:4)TG 52:4ME367805--11.63877.7243
TG(52:5)TG 52:5ME367804--11.40875.7091
TG(52:6)TG 52:6ME367803--11.17873.6940
TG(52:7)TG 52:7ME367802--11.02871.6784
TG(53:2)TG 53:2ME367811--12.31895.7719
TG(53:3)TG 53:3ME367810--12.06893.7565
TG(54:1)TG 54:1ME367822--12.77911.8034
TG(54:10)TG 54:10ME367812--9.80893.6624
TG(54:2)TG 54:2ME367821--12.49909.7880
TG(54:3)TG 54:3ME367820--12.27907.7725
TG(54:4)TG 54:4ME367819--11.98905.7563
TG(54:5)TG 54:5ME367818--11.74903.7406
TG(54:6)TG 54:6ME367817--11.50901.7243
TG(54:7)TG 54:7ME367816--11.40899.7099
TG(54:8)_ATG 54:8ME367814--11.01897.6942
TG(54:8)_BTG 54:8ME367815--11.17897.6943
TG(54:9)TG 54:9ME367813--10.95895.6786
TG(55:2)TG 55:2ME367824--12.66923.8044
TG(55:3)TG 55:3ME367823--12.40921.7883
TG(56:1)TG 56:1ME367835--13.20939.8354
TG(56:10)TG 56:10ME367825--11.05921.6949
TG(56:2)TG 56:2ME367834--12.87937.8176
TG(56:3)TG 56:3ME367833--12.58935.8036
TG(56:4)TG 56:4ME367832--12.32933.7870
TG(56:5)_ATG 56:5ME367830--12.08931.7716
TG(56:5)_BTG 56:5ME367831--12.19931.7719
TG(56:6)TG 56:6ME367829--11.95929.7561
TG(56:7)TG 56:7ME367828--11.75927.7404
TG(56:8)TG 56:8ME367827--11.51925.7245
TG(56:9)TG 56:9ME367826--11.28923.7098
TG(58:10)TG 58:10ME367837--11.43949.7254
TG(58:11)TG 58:11ME367836--11.20947.7100
TG(58:6)TG 58:6ME367841--12.20957.7880
TG(58:7)TG 58:7ME367840--12.12955.7725
TG(58:8)TG 58:8ME367839--11.85953.7561
TG(58:9)TG 58:9ME367838--11.60951.7414
TG(60:12)TG 60:12ME367842--11.34973.7252


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
2-Hydroxy-3-methyl-pentanoic acid2-Hydroxy-3-methyl-pentanoic acidME367858--3.40131.0714
2-Hydroxybutyric acid/3-Hydroxybutyric acid-ME367863--3.60103.0401
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME367900--7.00147.0299
2-Phosphoglyceric acid2-Phosphoglyceric acidME367911--9.05184.9857
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME367906--7.40239.0925
3-Indolepropionic acid3-Indolepropionic acidME367880--4.45188.0717
3-Methyl-2-oxovaleric acid/Ketoleucine-ME367857--3.40129.0557
3-Methyladipic acid/Pimelic acid-ME367892--6.75159.0663
3-Methylxanthine3-MethylxanthineME367856--3.15165.0418
3-Phosphoglyceric acid3-Phosphoglyceric acidME367913--9.25184.9857
4,5-Dihydroorotic acid4,5-Dihydroorotic acidME367875--4.10157.0255
4-Hydroxymandelic acid/Homogentisic acid-ME367882--4.60167.0350
4-Pyridoxic acid4-Pyridoxic acidME367864--3.65182.0459
Adipic acidAdipic acidME367896--6.80145.0506
ADPADPME367914--9.75426.0221
Aminoadipic acidAminoadipic acidME367889--5.25160.0615
Aspartic acidAspartic acidME367888--5.25132.0302
Azelaic acidAzelaic acidME367899--6.95187.0976
Caprylic acidCaprylic acidME367860--3.40143.1078
Chenodeoxycholic acid/Deoxycholic acid-ME367873--4.00391.2854
Citric acid/Isocitric acidCitric acid/Isocitric acidME367910--9.00191.0197
CorticosteroneCorticosteroneME367845--1.15345.2071
Eicosapentaenoic acidEPAME367855--3.10301.2173
Erythronic acidErythronic acidME367877--4.40135.0299
Fumaric acid/Maleic acid-ME367901--7.05115.0037
Gentisic acidGentisic acidME367881--4.60153.0193
Glucose/Fructose/GalactoseHexoseME367850--1.85179.0561
Glucuronic acidGlucuronic acidME367886--5.00193.0354
Glutamic acidGlutamic acidME367887--5.20146.0459
Glyceric acidGlyceric acidME367874--4.10105.0193
Glycocholic acidGlycocholic acidME367872--3.90464.3018
Glycocholic acid-d4 [iSTD]-ME367843--3.90468.3269
Glycodeoxycholic acid/Glycochenodeoxycholic acidGlycodeoxycholic acid/Glycochenodeoxycholic acidME367866--3.80448.3068
Hippuric acidHippuric acidME367870--3.90178.0510
Homovanillic acidHomovanillic acidME367878--4.40181.0506
HypoxanthineHypoxanthineME367859--3.40135.0312
Indolelactic acidIndolelactic acidME367879--4.40204.0666
Indoxyl sulfateIndoxyl sulfateME367865--3.80212.0023
Lactic acidLactic acidME367867--3.8589.0244
Lactose/Sucrose/Trehalose-ME367852--2.45341.1089
Malic acidMalic acidME367898--6.95133.0142
Malonic acidMalonic acidME367885--5.00103.0037
MethylcysteineMethylcysteineME367861--3.45134.0281
Methylmalonic acidMethylmalonic acidME367902--7.10117.0193
Myo-inositolMyo-inositolME367853--2.70179.0561
N6-AcetyllysineN6-AcetyllysineME367854--3.10187.1088
N-AcetylalanineN-AcetylalanineME367869--3.90130.0510
Oxalic acidOxalic acidME367905--7.4088.9880
Oxoglutaric acidOxoglutaric acidME367904--7.35145.0142
Pantothenic acidPantothenic acidME367871--3.90218.1034
Phenyllactic acidPhenyllactic acidME367862--3.55165.0557
PhosphocreatinePhosphocreatineME367895--6.75210.0285
Propionic acidPropionic acidME367868--3.9073.0295
Pyruvic acidPyruvic acidME367883--4.8087.0088
Quinic acidQuinic acidME367876--4.30191.0561
Quinolinic acidQuinolinic acidME367907--7.45166.0146
RibothymidineRibothymidineME367848--1.55257.0779
Salicyluric acidSalicyluric acidME367891--6.10194.0459
Sebacic acidSebacic acidME367894--6.75201.1132
sn-Glycero-3-phosphatesn-Glycero-3-phosphateME367903--7.25171.0064
SorbitolSorbitolME367851--2.00181.0718
Suberic acidSuberic acidME367893--6.75173.0819
Succinic acidSuccinic acidME367897--6.90117.0193
ThymineThymineME367846--1.35125.0357
Thymine-d4 [iSTD]-ME367844--1.35129.0608
trans-Aconitic acidtrans-Aconitic acidME367912--9.10173.0092
UracilUracilME367847--1.50111.0200
Uric acidUric acidME367890--5.25167.0211
UridineUridineME367849--1.75243.0623
Vitamin CVitamin CME367909--8.50175.0248
XanthineXanthineME367884--4.95151.0261
Xanthurenic acidXanthurenic acidME367908--8.30204.0302


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
10Z-Heptadecenoic acid10Z-Heptadecenoic acidME367939--14.47267.2326
11Z,14Z-Eicosadienoic acid11Z,14Z-Eicosadienoic acidME367954--15.14307.2638
12,13-DiHOME12,13-DiHOMEME367916--9.84313.2384
13-HODEalpha-Artemisic acidME367918--11.35295.2272
1,7-Dimethyluric acid1,7-Dimethyluric acidME367993--0.86195.0513
17-Methyloctadecanoic acidXi-17-Methyloctadecanoic acidME367950--16.13297.2794
2-Aminooctanoic acid2-Aminooctanoic acidME367922--1.33158.1173
2-Hydroxycaprylic acid2-Hydroxy caprylic acidME367923--6.41159.1013
2-Hydroxyibuprofen2-HydroxyibuprofenME367988--5.89221.1183
2-Hydroxymyristic acid2-Hydroxymyristic acidME367935--12.20243.1960
2-Hydroxypalmitic acid2-Hydroxy palmitic acidME367941--13.64271.2275
3-Hydroxydecanoic acid3-Hydroxydecanoic acidME367927--8.17187.1329
3-Hydroxyoctanoic acid3-Hydroxyoctanoic acidME367924--5.53159.1013
3-Methyladipic acid3-Methyladipic acidME367989--1.26159.0663
4-Hydroxystyrene4-HydroxystyreneME367990--2.19119.0502
5-Dodecenoic acid5-Dodecenoic acidME367928--11.34197.1536
7-Ketodeoxycholic acid7-Ketodeoxycholic acidME367967--8.02405.2646
9,10-DiHOME9,10-DiHOMEME367917--10.03313.2384
Adrenic acidAdrenic acidME367960--14.79331.2639
alpha-CEHCalpha-CEHCME367991--7.75277.1445
alpha-Linolenic acidalpha-Linolenic acidME367943--13.44277.2169
alpha-Muricholic acidalpha-Muricholic acidME367968--7.81407.2787
Arachidic acidArachidic acidME367956--16.72311.2952
Arachidonic acidArachidonic acidME367952--14.01303.2326
Azelaic acidAzelaic acidME367984--3.81187.0964
Capric acidCapric acidME367925--10.62171.1378
Chenodeoxycholic acidChenodeoxycholic acidME367964--10.19391.2850
Cholic acidCholic acidME367969--8.78407.2798
CinnamoylglycineCinnamoylglycineME367992--3.17204.0666
cis-Erucic acidcis-Erucic acidME367961--16.70337.3108
Deoxycholic acidDeoxycholic acidME367965--10.40391.2851
DHADHAME367958--13.80327.2326
Dodecanedioic acidDodecanedioic acidME367933--7.67229.1438
DPADPAME367959--14.15329.2481
Eicosanedioic acidEicosanedioic acidME367962--12.93341.2692
Eicosapentaenoic acidEPAME367951--13.31301.2169
Eicosatrienoic acidEicosatrienoic acidME367953--14.49305.2482
Eicosenoic acidcis-Gondoic acidME367955--15.87309.2795
gamma-Linolenic acidgamma-Linolenic acidME367942--13.55277.2169
Glucose/Fructose/GalactoseHexoseME367995--0.67179.0549
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME367971--8.90448.3065
Glycocholic acidGlycocholic acidME367974--7.78464.3011
Glycodeoxycholic acidGlycodeoxycholic acidME367972--9.13448.3064
Glycolithocholic acidGlycolithocholic acidME367970--10.51432.3107
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME367973--7.74448.3063
Hexadecanedioic acidHexadecanedioic acidME367947--10.46285.2068
Hydrocinnamic acidHydrocinnamic acidME367920--5.87149.0608
Hyodeoxycholic acid/Ursodeoxycholic acid-ME367966--8.90391.2849
IbuprofenIbuprofenME367987--10.03205.1234
Indoleacetic acidIndoleacetic acidME367926--3.92174.0561
Lauric acidLauric acidME367929--12.27199.1693
Levulinic acidLevulinic acidME367919--0.88115.0386
Linoleic acidLinoleic acidME367944--14.18279.2327
Mandelic acidMandelic acidME367921--1.85151.0401
Margaric acidMargaric acidME367940--15.38269.2482
Maslinic acidMaslinic acidME367963--11.48471.3480
Myristic acidMyristic acidME367932--13.69227.2008
Myristoleic acidMyristoleic acidME367931--12.63225.1852
N-AcetylalanineN-AcetylalanineME367996--0.89130.0496
N-FormylmethionineN-FormylmethionineME367994--1.01176.0387
Nonadeca-10Z-enoic acidNonadeca-10Z-enoic acidME367948--15.46295.2637
Nonadecylic acidNonadecylic acidME367949--16.27297.2794
Oleic acidOleic acidME367945--14.99281.2484
OxypurinolOxypurinolME367997--0.71151.0261
Palmitic acidPalmitic acidME367937--14.87255.2326
Palmitoleic acidPalmitoleic acidME367936--13.90253.2168
Palmitoyl-EAPalmitoyl-EAME367998--13.39344.2804
PEGE2-d4 [iSTD]-ME367915--7.75355.2423
Pentadecylic acidPentadecylic acidME367934--14.31241.2166
Phenyllactic acidPhenyllactic acidME367999--2.19165.0544
p-Hydroxyphenylacetic acidp-Hydroxyphenylacetic acidME368000--1.30151.0401
Phytanic acidPhytanic acidME367957--16.08311.2952
Pregnenolone sulfatePregnenolone sulfateME368001--8.41395.1891
RibothymidineRibothymidineME368002--0.86257.0779
SaccharinSaccharinME367983--0.96181.9904
Salicylic acidSalicylic acidME367981--2.90137.0230
Salicyluric acidSalicyluric acidME367985--1.92194.0458
Sebacic acidSebacic acidME367986--5.81201.1123
Stearic acidStearic acidME367946--15.84283.2638
Tauro-alpha-muricholic acid/Tauro-beta-muricholic ...Tauromuricholic acidME367979--6.09514.2836
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME367976--8.03498.2890
Taurocholic acidTaurocholic acidME367980--7.12514.2834
Taurodeoxycholic acidTaurodeoxycholic acidME367977--8.27498.2888
Taurohyodeoxycholic acid/Tauroursodeoxycholic acidTauroursodeoxycholic acidME367978--6.98498.2890
Taurolithocholic acidTaurolithocholic acidME367975--9.42482.2930
Tetradecanedioic acidTetradecanedioic acidME367938--9.11257.1755
TheophyllineTheophyllineME367982--0.92179.0561
Undecanedioic acidUndecanedioic acidME367930--6.84215.1281


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