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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-(1Z-Hexadecenyl)-sn-glycero-3-phosphocholineLPC P-16:0 or LPC O-16:1ME415584--5.465480.34567
1,4-Cyclohexanedicarboxylic acid-ME415585--1.499173.08124
1,7-Dimethyluric acid1,7-Dimethyluric acidME415586--4.489197.06747
1-Hexadecylamine1-HexadecylamineME415587--2.021242.28482
1-Methyladenosine1-MethyladenosineME415588--7.516282.12057
1-Methylnicotinamide1-Methyl nicotinamideME415589--6.367137.0714
1-OctadecylamineOctadecylamineME415590--1.956270.3161
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...LPE 16:0/0:0ME415591--5.874454.29388
2-alpha-Mannobiose-ME415592--9.638343.12445
2-Amino-3-methoxybenzoic acid3-Methoxyanthranilic acidME415593--1.245168.06584
2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid2-Deoxy-2,3-dehydro-N-acetylneuraminic acidME415594--9.802274.09293
2'-O-Methylguanosine2'-O-MethylguanosineME415595--5.923298.11545
(2R)-3-HydroxyisovaleroylcarnitineCAR 4:0;OH,MeME415581--7.291262.16565
3,4-Dihydroxyphenylalanine (DOPA)-ME415596--8.394198.07425
3-Amino-3-(4-hydroxyphenyl)propionic acid-ME415597--7.541182.07936
3-Aminophenol3-AminophenolME415598--1.501110.06026
3-Cyclohexyl-1,1-dimethylurea-ME415599--1.152171.14952
3-Cysteinylacetaminophen-ME415600--7.698271.0755
3-cysteinylacetaminophen glucuronide-ME415919--9.661447.1078
3-HydroxybutyrylcarnitineCAR 4:0;3OHME415601--7.675248.14989
3-Indoleacetic acidIndoleacetic acidME415602--1.233176.07097
3-Methylcytidine3-MethylcytidineME415603--7.213258.10934
3'-O-Methylcytidine-ME415604--5.329258.10928
4,5,7-TrihydroxyisoflavoneGenisteinME415605--1.15271.06067
4,6-Diamino-5-formamidopyrimidineFAPy-adenineME415606--5.475154.07271
4-Acetamidobutyric acid4-Acetamidobutanoic acidME415607--2.336146.08151
(4-Aminobutyl)guanidineAgmatineME415582--9.076131.1295
4-Aminophenol4-AminophenolME415608--1.382110.06029
4-Guanidinobutyric acid4-Guanidinobutanoic acidME415609--7.732146.0928
4-Hydroxynonenal4-HydroxynonenalME415610--1.067153.09137
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME415611--1.345144.04807
4-Methylumbelliferone4-MethylumbelliferoneME415612--1.148177.05498
5,6-DihydrouracilDihydrouracilME415613--1.796115.05047
5-Hydroxytryptophan5-Hydroxy-tryptophanME415614--7.566221.0927
5-Methylcytidine5-MethylcytidineME415615--6.641258.10925
5-Methylcytosine5-MethylcytosineME415616--5.863126.06645
5'-Methylthioadenosine5'-MethylthioadenosineME415617--2.63298.09756
6-Aminopyridine-3-carboxamide-ME415618--1.881121.03988
7-Methylguanosine7-MethylguanosineME415619--7.555298.11572
9-Oxo-10E,12Z-octadecadienoic acid9-OxoODEME415620--1.083295.2276
AcetaminophenAcetaminophenME415621--1.387152.07089
AcetylcarnitineCAR 2:0ME415622--7.272204.1236
AcetylcholineAcetylcholineME415623--7.846146.11792
AdenosineAdenosineME415624--5.134268.1048
Ala-AsnAla-AsnME415625--9.325204.0985
Ala-GlnAla-GlnME415626--9.171218.11403
Ala-IleAla-IleME415627--7.814203.13968
Ala-Ile-LysAla-Ile-LysME415628--9.138331.23486
Ala-Leu-LysAla-Leu-LysME415629--8.989331.23477
Ala-LysAla-LysME415630--9.781218.15048
AlanineAlanineME415631--8.21690.05523
Ala-ProAla-ProME415632--8.233187.10826
Ala-Pro-LysAla-Pro-LysME415633--9.655315.20346
Ala-ThrAla-ThrME415634--8.807191.10313
Ala-TrpAla-TrpME415635--7.531276.13504
alpha-Galactosamine-1-phosphate-ME415636--7.207260.05396
alpha-L-Asp-L-LysAsp-LysME415637--9.999262.14056
Androstan-3-ol-17-one 3-glucuronide-ME415638--6.128484.29187
Androstane-3,17-diol, (3.alpha.,5.alpha.,17.beta.)...-ME415639--6.832257.22714
AnserineAnserineME415640--9.638241.13016
Arg-AlaArg-AlaME415641--9.732246.15692
Arg-AsnArg-AsnME415642--10.009289.16275
Arg-GlnArg-GlnME415643--9.94303.17847
Arg-GlyArg-GlyME415644--9.903232.1411
ArginineArginineME415645--9.603175.11937
Arg-LeuArg-LeuME415646--8.823288.20392
Arg-MetArg-MetME415647--9.197306.1604
Arg-PheArg-PheME415648--8.816322.18823
Arg-ProArg-ProME415649--9.565272.17242
Arg-TrpArg-TrpME415650--8.818361.19934
Arg-ValArg-ValME415651--9.275274.18817
Asn-AlaAsn-AlaME415652--8.993204.09859
Asn-ArgAsn-ArgME415653--9.939289.16266
Asn-AsnAsn-AsnME415654--9.659247.10446
Asn-GlnAsn-GlnME415655--9.547261.12021
Asn-GlyAsn-GlyME415656--9.346190.08287
Asn-ProAsn-ProME415657--8.788230.11426
Asn-Pro-LysAsn-Pro-LysME415658--9.797358.20944
Asn-SerAsn-SerME415659--9.555220.09335
Asn-ThrAsn-ThrME415660--9.293234.10918
Asn-ValAsn-ValME415661--8.248232.12978
Asp-ArgAsp-ArgME415662--9.971290.14679
Asp-GluAsp-GluME415663--9.585263.08826
Asp-HisAsp-HisME415664--9.998271.10428
Asp-LeuAsp-LeuME415665--8.192247.12958
Asp-pheAsp-PheME415666--8.288281.11398
Asp-SerAsp-SerME415667--9.752221.07739
Asp-ValAsp-ValME415668--8.578233.1138
Betaine or valine-ME415669--7.296118.08643
CadaverineCadaverineME415670--9.203103.12321
CaffeineCaffeineME415671--1.278195.08795
CarnitineCarnitineME415672--7.844162.11285
CarnosineCarnosineME415673--9.701227.11435
cis-4-Hydroxycyclohexanecarboxylic acid-ME415674--1.424127.0756
CitrullineCitrullineME415675--8.952176.10344
ConiferylaldehydeConiferyl aldehydeME415676--0.915179.07051
CorticosteroneCorticosteroneME415677--1.085347.21985
CreatineCreatineME415678--8.202132.07704
CreatinineCreatinineME415679--5.102114.06641
CyclohexanamineCyclohexylamineME415681--5.229100.11232
Cyclo(Leu-Pro)Cyclo(-Leu-Pro)ME415680--1.359211.14471
CystineCystineME415682--10.035241.03178
CytidineCytidineME415683--7.025244.09363
CytosineCytosineME415684--6.128112.05074
DexpanthenolPantothenolME415685--1.931206.13911
Disaccharide1-ME415686--8.008365.10629
Disaccharide4-ME415687--8.557365.1062
Disaccharide5-ME415688--8.998360.15085
Disaccharide6-ME415689--9.003343.12436
Disaccharide7-ME415690--9.349365.10638
Disaccharide8-ME415691--9.465360.15121
EthanolamineEthanolamineME415692--7.38362.06034
GalactinolGalactinolME415693--9.821343.12445
Galacto/Lacto-N-biose-ME415694--8.879406.13309
gamma-aminobutyric acidgamma-Aminobutyric acidME415695--7.839104.0708
gamma-Glutamylleucinegamma-GlutamylleucineME415696--8.171261.14536
Gln-AlaGln-AlaME415697--8.887218.1142
Gln-ArgGln-ArgME415698--9.889303.17847
Gln-GlnGln-GlnME415699--9.451275.13571
Gln-GluGln-GluME415700--9.325276.11984
Gln-Glu-LysGln-Glu-LysME415701--10.004404.21497
Gln-HisGln-HisME415702--9.851284.1362
Gln-Leu-ArgGln-Leu-ArgME415703--9.313416.26245
Gln-ProGln-ProME415704--8.668244.12993
Gln-SerGln-SerME415705--9.441234.10913
Gln-ThrGln-ThrME415706--9.175248.12477
Gln-TyrGln-TyrME415707--8.404310.14056
Gln-ValGln-ValME415708--8.204246.14554
Glu-AlaGlu-AlaME415709--8.922219.09818
Glu-IleGlu-IleME415710--7.976261.14532
Glu-Ile-LysGlu-Ile-LysME415711--9.31389.24063
Glu-LeuGlu-LeuME415712--7.925261.14517
Glu-PheGlu-PheME415713--7.995295.12967
Glu-ProGlu-ProME415714--8.788245.11382
Glu-SerGlu-SerME415715--9.511235.09312
Glutamic acidGlutamic acidME415716--8.891148.06073
GlutamineGlutamineME415717--8.72147.07672
Glu-ThrGlu-ThrME415718--9.244249.10883
Glu-ValGlu-ValME415719--8.279247.12959
Glu-Val-LysGlu-Val-LysME415720--9.536375.22482
Gly-ArgGly-ArgME415721--9.852232.14108
Gly-AsnGly-AsnME415722--9.54190.0827
glycerophosphocholinesn-Glycero-3-phosphocholineME415723--8.71258.11078
GlycineGlycineME415724--8.51476.03946
Glycocholic acidGlycocholic acidME415725--6.282466.31747
Gly-HisGly-HisME415726--9.833213.09895
Gly-Ile-LysGly-Ile-LysME415727--9.181317.21909
Gly-Leu-ArgGly-Leu-ArgME415728--8.92345.22549
Gly-Leu-LysGly-Leu-LysME415729--9.025317.21939
Gly-LysGly-LysME415730--9.904204.13492
Gly-PheGly-PheME415731--7.73223.10835
Gly-Pro-ArgGly-Pro-ArgME415732--9.645329.19412
Gly-Pro-LysGly-Pro-LysME415733--9.691301.18796
Gly-Ser-ArgGly-Ser-ArgME415734--9.932319.17334
Gly-ThrGly-ThrME415735--9.093177.08745
Gly-valGly-ValME415736--8.073175.10822
GuanineGuanineME415737--6.647152.05701
GuanosineGuanosineME415738--7.346284.0997
Heptadecasphing-4-enineC17 SphingosineME415739--4.831286.27484
Hexanoyl-L-carnitineCAR 6:0ME415740--5.17260.18628
His-AlaHis-AlaME415741--9.468227.1144
His-AsnHis-AsnME415742--9.857270.12045
His-GlnHis-GlnME415743--9.774284.13611
His-GluHis-GluME415744--9.732285.12012
His-LeuHis-LeuME415745--8.266269.1615
His-LysHis-LysME415746--10.178284.17261
His-PheHis-PheME415747--8.19303.14603
His-Pro-LysHis-Pro-LysME415748--10.031381.22525
His-SerHis-SerME415749--9.794243.1095
HistamineHistamineME415750--8.393112.08719
His-ThrHis-ThrME415751--9.59257.12503
HistidineHistidineME415752--9.56156.07716
His-TrpHis-TrpME415753--8.219342.15695
His-TyrHis-TyrME415754--8.875319.14096
His-ValHis-ValME415755--8.801255.14595
Ile-Ala-LysIle-Ala-LysME415756--9.341331.23474
Ile-ArgIle-ArgME415757--9.081288.20392
Ile-AsnIle-AsnME415758--8.361246.1456
Ile-Asn-LysIle-Asn-LysME415759--9.652374.24078
Ile-HisIle-HisME415760--8.952269.16162
Ile-ProIle-ProME415761--7.277229.15535
Ile-Pro-ArgIle-Pro-ArgME415762--8.796385.25684
Ile-Pro-IleIle-Pro-IleME415763--6.224342.23975
Ile-TrpIle-TrpME415764--6.373318.18213
Ile-TyrIle-TyrME415765--7.22295.1662
ImidazoleImidazoleME415766--4.70369.04492
Indole-3-carboxylic acidIndole-3-carboxylic acidME415767--1.414162.05524
InosineInosineME415768--6.425269.08884
IsoleucineIsoleucineME415769--7.309132.10222
Isorhamnetin-3-O-rutinosideIsorhamnetin-3-O-rutinosideME415770--6.187625.17828
Isovaleryl-L-carnitineCAR 4:0;3MeME415771--5.501246.17061
Lacto-N-triaose-ME415772--9.554546.20453
Leu-ArgLeu-ArgME415773--8.943288.2038
Leu-GlnLeu-GlnME415774--8.117260.16129
Leu-GluLeu-GluME415775--8.042261.14529
Leu-Leu-ArgLeu-Leu-ArgME415776--8.488401.28809
Leu-Leu-LysLeu-Leu-LysME415777--8.389373.28201
Leu-LysLeu-LysME415778--9.073260.19763
Leu-PheLeu-PheME415779--6.351279.17108
Leu-ProLeu-ProME415780--7.379229.15533
Leu-TyrLeu-TyrME415781--7.129295.1662
Leu-ValLeu-ValME415782--6.798253.15302
Leu-Val-LysLeu-Val-LysME415783--8.866359.2662
L-HistidinolL-HistidinolME415784--8.544142.09795
LithocholylglycineGlycolithocholic acidME415785--2.574416.31683
L-SaccharopineSaccharopineME415786--9.895277.14038
Lys-AlaLys-AlaME415787--9.739218.15056
Lys-AsnLys-AsnME415788--9.997261.15656
Lys-GlnLys-GlnME415789--9.935275.17215
Lys-GluLys-GluME415790--9.918276.15631
Lys-IleLys-IleME415791--8.975260.19785
LysineLysineME415792--9.675147.11311
Lys-LeuLys-LeuME415793--8.882260.19781
Lys-MetLys-MetME415794--9.244278.15424
Lys-PheLys-PheME415795--8.888294.18219
Lys-ProLys-ProME415796--9.658244.16634
Lys-ThrLys-ThrME415797--9.819248.16124
Lys-TrpLys-TrpME415798--8.898333.1929
Lys-TyrLys-TyrME415799--9.44310.17706
Lys-ValLys-ValME415800--9.311246.18202
Met-ArgMet-ArgME415801--9.256306.16006
Met-GlyMet-GlyME415802--7.975207.08046
MethionineMethionineME415803--7.537150.05878
MethioninesulfoxideMethionine sulfoxideME415804--8.674166.05374
Methylglycinate-ME415805--5.45390.05516
Met-PheMet-PheME415806--6.522297.12766
Met-TrpMet-TrpME415807--6.56336.13846
Monoelaidin-ME415808--5.987357.30093
N2-Methylguanosine2-MethylguanosineME415811--6.622298.11554
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME415810--5.705312.1311
N8-AcetylspermidineN8-AcetylspermidineME415812--8.973188.17632
N-Acetyl-D-galactosaminitolN-Acetyl-D-galactosaminitolME415813--7.392224.11346
N-Acetyl-D-lactosamineN-AcetyllactosamineME415814--8.377406.13309
N-AcetylhistamineN-AcetylhistamineME415815--6.161154.0979
N-Acetylneuraminic acidN-Acetylneuraminic acidME415816--9.443310.11417
N-AcetyltryptophanN-Acetyl-tryptophanME415817--2.922247.10838
N-BenzyloxycarbonylglycineN-BenzyloxycarbonylglycineME415818--7.844210.07693
N-Carboxyethyl-.gamma.-aminobutyric acidN-Carboxyethyl-gamma-aminobutyric acidME415819--8.25176.09218
n-Dodecylamine-ME415820--3.08186.22209
N-epsilon-AcetyllysineN6-AcetyllysineME415821--8.198189.12392
NicotinamideNiacinamideME415822--1.788123.05547
Nicotinic acidNicotinic acidME415823--4.181124.0396
N-Methylanthranilic acid2-(Methylamino)benzoic acidME415824--1.053152.07091
N-Methylglutamic acidN-Methyl-glutamic acidME415825--8.532162.07648
N-MethylisoleucineN-MethylisoleucineME415826--6.669146.11792
N-Methylleucine-ME415827--6.528146.11794
N-MethylprolineN-Methyl-prolineME415828--7.277130.08658
N-Methyltyrosine-ME415829--7.18196.09749
N,N-DimethylarginineDimethylarginineME415809--9.045203.15091
NorleucineNorleucineME415830--7.128132.1022
Octadecanedioic acidOctadecanedioic acidME415831--1.216315.25363
OctanoylcarnitineCAR 8:0ME415832--4.755288.21774
Oleoyl-L-carnitineCAR 18:1ME415833--3.289426.35873
OrnithineOrnithineME415834--9.721133.09741
Pantothenic acidPantothenic acidME415835--3.637220.11845
Pentasaccharide/ maltopentaose-ME415836--10.275829.28375
Phe-AlaPhe-AlaME415837--7.393237.12398
Phe-ArgPhe-ArgME415838--8.878322.18826
Phe-GlnPhe-GlnME415839--8.056294.14566
Phe-HisPhe-HisME415840--8.743303.14594
Phe-LysPhe-LysME415841--9.002294.18216
PhenylacetaldehydePhenylacetaldehydeME415842--5.758121.06509
PhenylacetylglycinePhenylacetylglycineME415843--2.895194.0817
Phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME415844--6.079287.10114
PhenylalaninePhenylalanineME415845--6.999166.08662
Phenylethanolamine2-HydroxyphenethylamineME415846--5.594138.09167
Phe-ProPhe-ProME415847--6.993263.13977
Phe-TrpPhe-TrpME415848--5.984352.16669
Pro-ArgPro-ArgME415849--9.51272.17245
Pro-AsnPro-AsnME415850--8.972230.11424
Pro-Ile-LysPro-Ile-LysME415851--8.809357.25058
ProlineProlineME415852--7.834116.07085
Proline-hydroxyprolinePro-hydroxyProME415853--8.666229.11888
Pro-LysPro-LysME415854--9.569244.16629
PropionylcarnitineCAR 3:0ME415855--6.501218.13924
Pro-ProPro-ProME415856--8.027213.12402
Pro-Pro-LysPro-Pro-LysME415857--9.453341.2193
PutrescinePutrescineME415858--9.39989.10751
PyroGlu-Met-ME415859--6.57261.09122
PyroGlu-Pro-ME415860--8.739227.10321
Pyroglutamic acidPyroglutamic acidME415861--8.888130.05023
PyroGlu-Trp-ME415862--6.071316.13025
QuercetinQuercetinME415863--1.303303.05066
(R)-ButyrylcarnitineCAR 4:0ME415583--5.874232.15494
S-Adenosyl-homocysteineS-AdenosylhomocysteineME415864--8.899385.1301
S-Adenosyl-methionineS-AdenosylmethionineME415865--9.815399.14548
Salicylic acid ethyl ester-ME415866--3.348167.07069
Ser-ArgSer-ArgME415867--9.944262.15182
Ser-AsnSer-AsnME415868--9.627220.09349
Ser-AspSer-AspME415869--9.487221.07719
Ser-GlnSer-GlnME415870--9.518234.1091
Ser-GluSer-GluME415871--9.395235.09315
Ser-HisSer-HisME415872--9.902243.10956
Ser-Ile-LysSer-Ile-LysME415873--9.237347.23004
SerineSerineME415874--8.79106.05014
Ser-Leu-ArgSer-Leu-ArgME415875--9.135375.23605
Ser-LysSer-LysME415876--9.969234.14558
Ser-Pro-LysSer-Pro-LysME415877--9.771331.19843
Ser-SerSer-SerME415878--9.525193.0825
Ser-ThrSer-ThrME415879--9.251207.09819
Ser-ValSer-ValME415880--8.224205.1189
S-succinylcysteineSHexCer 39:0;O3ME415881--9.333238.03871
StercobilinL-UrobilinME415882--5.529595.35052
SyringaldehydeSYRINGALDEHYDEME415883--2.402183.06564
Tetrasaccharide-ME415884--9.957689.21289
Thr-AlaThr-AlaME415885--8.609191.10313
Thr-ArgThr-ArgME415886--9.8276.16742
Thr-GlnThr-GlnME415887--9.293248.12485
Thr-Gly-ThrThr-Gly-ThrME415888--9.173278.13541
Thr-HisThr-HisME415889--9.751257.12503
Thr-Ile-LysThr-Ile-LysME415890--9.25361.24557
Thr-PheThr-PheME415891--7.572267.13477
Thr-ThrThr-ThrME415892--8.936221.11382
Thr-TyrThr-TyrME415893--8.108283.12976
ThymineThymineME415894--2.833127.05045
TMAOTrimethylamine N-oxideME415895--5.70276.07588
TrigonellineTrigonellineME415896--7.544138.05524
Trisaccharide1-ME415897--9.325527.15948
Trisaccharide3-ME415898--9.783527.15979
Trisaccharide4-ME415899--10.006527.15967
Trp-ArgTrp-ArgME415900--8.882361.19925
Trp-GlyTrp-GlyME415901--7.623262.11932
Trp-LeuTrp-LeuME415902--6.167318.18204
Trp-ProTrp-ProME415903--7.001302.15073
TryptophanTryptophanME415904--6.973205.09773
Tyr-ArgTyr-ArgME415905--9.375338.18317
Tyr-AsnTyr-AsnME415906--8.765296.12503
Tyr-GlnTyr-GlnME415907--8.602310.14056
TyrosineTyrosineME415908--7.78182.08171
Tyr-ProTyr-ProME415909--7.588279.13477
Tyr-TyrTyr-TyrME415910--7.543345.14545
Urocanic acidUrocanic acidME415911--3.824139.05049
Val-ArgVal-ArgME415912--9.381274.18805
Val-GlnVal-GlnME415913--8.553246.14554
Val-GluVal-GluME415914--8.419247.12959
Val-HisVal-HisME415915--9.293255.14592
Val-LysVal-LysME415916--9.458246.18198
Val-MetVal-MetME415917--7.385249.12738
Val-PheVal-PheME415918--6.78265.15543


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
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME415921--1.291187.1324
12,13-Dihydroxy-9Z-octadecenoic acid12,13-DiHOMEME415923--1.223313.2371
12(13)-Epoxy-9Z-octadecenoic acid12(13)-EpOMEME415922--1.098295.2263
1,3 CyclohexanedioneCyclohexane-1,3-dioneME415920--1.645111.0434
1-Kestose1-KestoseME415924--9.447549.1657
1-Methyluric acid1-Methyluric acidME415925--6.097181.0352
2,6-Dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME415926--1.121153.0176
2'-DeoxycytidineDeoxycytidineME415927--6.134226.082
2-Deoxyribose2-Deoxy-riboseME415928--3.758133.049
2-DeoxyuridineDeoxyuridineME415929--3.325227.066
2-Hydroxy-4-methylpentanoic acidLeucinic acidME415930--1.926131.0696
2-Hydroxyquinoline2-HydroxyquinolineME415931--1.152144.0437
2-Ketogluconic acid-ME415932--8.719193.034
2-Methylglutaric acid2-Methylglutaric acidME415933--2.368145.049
2-Propylglutaric acid2-Propylglutaric acidME415934--3.652173.0804
3,4-Dihydroxyhydrocinnamic acid3,4-Dihydroxyhydrocinnamic acidME415935--1.866181.049
3,4-Dihydroxyphenylacetic acid3,4-Dihydroxybenzeneacetic acidME415936--2.553167.0334
3 cysteinylacetaminophen sulfate-ME416161--7.646349.0158
3-Hydroxyacetaminophen-ME415937--1.876166.0494
3-Hydroxybutyric acid3-Hydroxybutyric acidME415938--1.924103.0383
3-Hydroxyvaleric acid3-Hydroxyvaleric acidME415939--2.151117.054
3-Methoxy-4-hydroxyphenylglycol sulfate-ME415940--2.953263.0221
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME415941--2.932129.054
3-Methylcatechol-ME415942--1.173123.0434
3'-O-Methylinosine-ME415943--4.462281.088
3-Phenyllactic acidPhenyllactic acidME415944--2.151165.0541
3'-Sialyllactose3'-SialyllactoseME415945--9.803632.2029
4,4-Dimethyl-L-glutamic acid-ME415946--8.197174.0757
4-Acetylbutyric acid5-Ketocaproic acidME415947--1.396129.054
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME415948--1.676137.0227
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME415949--5.916194.0445
4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME415950--4.423181.0491
4-Ketopimelic acid-ME415951--3.737173.044
4-Methylcatechol4-MethylcatecholME415952--1.417123.0435
4-Nitrocatechol4-NitrocatecholME415953--1.371154.0129
4-Pyridoxic acid4-Pyridoxic acidME415954--2.954182.0444
5-Hydroxy-3-indoleacetic acid5-Hydroxyindoleacetic acidME415955--1.965190.0495
5-Hydroxymethyl-2-furancarboxylic acidSumiki's acidME415956--6.168141.0177
5-Hydroxymethyluridine5-HydroxymethyluridineME415957--6.473273.0738
6-Hydroxycaproic acid6-Hydroxycaproic acidME415958--1.46131.0696
7.alpha.,17.alpha.-Dimethyl-5.beta.-androstane-3.a...-ME415959--6.195495.2947
7-Hydroxycoumarin sulfate-ME415960--1.144240.9799
Abietic acidAbietic acidME415961--1.051301.2159
Abscisic acidAbscisic acidME415962--1.314263.1277
Acetaminophen glucuronidep-AcetamidophenylglucuronideME415963--7.895326.087
Acetaminophen sulfateParacetamol sulfateME415964--1.496230.0113
Aconitic acidcis-Aconitic acidME415965--7.878173.0076
AdenineAdenineME415966--4.848134.0455
Ala-AlaAla-AlaME415967--8.462159.0759
Ala-AspAla-AspME415968--9.079203.066
Ala-GluAla-GluME415969--8.99217.0816
Ala-LeuAla-LeuME415970--7.764201.1231
Ala-PheAla-PheME415971--7.579235.1076
Ala-SerAla-SerME415972--9.153175.0709
Ala-TyrAla-TyrME415973--7.998251.1027
AllantoinAllantoinME415974--5.811157.0351
ArabinoseArabinoseME415975--6.42149.044
Arabitol or xylitol-ME415976--7.148151.0596
ArbutinArbutinME415977--5.001317.0864
Asn-AspAsn-AspME415978--9.516246.0721
Asn-IleAsn-IleME415979--7.88244.1292
Asn-MetAsn-MetME415980--8.256262.0858
Asn-TyrAsn-TyrME415981--8.476294.1086
AsparagineAsparagineME415982--8.87131.0446
Aspartic acidAspartic acidME415983--9.672132.0286
Asp-AspAsp-AspME415984--9.711247.0561
Asp-GlnAsp-GlnME415985--9.714260.0879
Asp-TyrAsp-TyrME415986--8.807295.0924
beta-Hydroxyisovaleric acid3-Hydroxyisovaleric acidME415987--1.642117.054
Blood Group A Trisaccharide-ME415988--9.217564.1689
CatecholPyrocatecholME415989--1.234109.0278
Chenodeoxycholic acid 24-acyl-.beta.-D-glucuronide-ME415990--6.453567.3158
Chlorogenic acidChlorogenic acidME415991--7.325353.0865
Cholesterol 3-sulfateCholesterol sulfateME415992--1.157465.3023
Cholic acidCholic acidME415993--2.602407.2786
Citraconic acidCitraconic acidME415994--1.769129.0175
Cysteic AcidCysteic acidME415995--9.145167.9958
Dehydroascorbic acidL-Dehydroascorbic acidME415996--4.66173.0076
Digalacturonic acidDigalacturonic acidME415997--10.303369.0661
Disaccharide2-ME415998--8.111341.1077
Disaccharide3-ME415999--8.223341.1078
Disaccharide9-ME416000--9.828341.1076
DL-Isocitric acid lactone-ME416001--8.09173.0076
EpicatechinEpicatechinME416002--2.95289.0707
Ferulic acidtrans-Ferulic acidME416003--1.417193.0491
Fumaric acidFumaric acidME416004--1.795115.0019
gamma-Glutamylglutaminegamma-GlutamylglutamineME416005--9.665274.1036
GeniposideGeniposideME416006--4.666387.1283
Gln-AspGln-AspME416007--9.417260.0878
Gln-GlyGln-GlyME416008--9.233202.082
Gln-MetGln-MetME416009--8.208276.1013
Glu-AsnGlu-AsnME416010--9.609260.0879
Glu-GlnGlu-GlnME416011--9.488274.1036
Glu-Gly-GluGlu-Gly-GluME416012--9.416332.1089
Glu-HisGlu-HisME416013--9.894283.1038
Glu-LysGlu-LysME416014--9.917274.14
Glutaric acidGlutaric acidME416015--2.913131.0333
Gly-AspGly-AspME416016--9.352189.0503
Glycolic acidGlycolic acidME416017--7.75775.0071
Glycoursodeoxycholic acid AND Glycodeoxycholic aci...-ME416018--4.86448.3048
Gly-GluGly-GluME416019--9.241203.066
Gly-GlyGly-GlyME416020--9.126131.0446
Gly-Gly-GlyGly-Gly-GlyME416021--9.348188.0663
Gly-IleGly-IleME416022--7.88187.1074
Gly-MetGly-MetME416023--8.039205.0639
Gly-Pro-GluGly-Pro-GluME416024--8.8300.1191
Gly-SerGly-SerME416025--9.414161.0553
Gly-TyrGly-TyrME416026--8.252237.0869
Gly-Tyr-AlaGly-Tyr-AlaME416027--8.1308.1243
Guanosine-3',5'-cyclic monophosphate3',5' cyclic GMPME416028--8.479344.0389
hesperidinHesperidinME416029--5.661609.1814
Hippuric acidHippuric acidME416030--3.116178.0494
His-GlyHis-GlyME416031--9.666211.0824
His-ProHis-ProME416032--9.374251.1141
Homogentisic acidHomogentisic acidME416033--2.912167.0334
HomoserineHomoserineME416034--8.51118.0494
Homovanillic acidHomovanillic acidME416035--1.526181.049
Homovanillic acid sulfate-ME416036--1.159261.0062
HypoxanthineHypoxanthineME416037--5.105135.0295
Ile-AspIle-AspME416038--8.041245.1132
Ile-GlnIle-GlnME416039--8.219258.1449
Ile-LeuIle-LeuME416040--6.202243.1702
Ile-LysIle-LysME416041--9.19258.1814
Ile-MetIle-MetME416042--6.794261.1269
Ile-PheIle-PheME416043--6.346277.1547
Ile-SerIle-SerME416044--8.16217.118
Ile-ValIle-ValME416045--6.903229.1545
Indoxyl sulfateIndoxyl sulfateME416046--1.393212.0008
InositolInositolME416047--7.993179.0546
Isorhamnetin-3-glucoside-ME416048--4.685477.1025
IsoxanthopterinIsoxanthopterinME416049--6.651178.0356
Ketoisovaleric acidKetoisovaleric acidME416050--3.207115.0384
Kynurenic acidKynurenic acidME416051--6.328188.034
LactitolLactitolME416052--8.99343.1233
Leu-AsnLeu-AsnME416053--8.36244.1292
Leu-Gly-GlyLeu-Gly-GlyME416054--7.998244.1293
Leu-Gly-LeuLeu-Gly-LeuME416055--7.161300.1917
Leu-HisLeu-HisME416056--8.833267.1454
Leu-ThrLeu-ThrME416057--7.889231.1339
L-gamma-Glutamyl-L-glutamic acidgamma-Glutamylglutamic acidME416058--9.345275.0876
L-Gulono-1,4-lactone-ME416059--4.464177.039
Linoleic acidLinoleic acidME416060--1.056279.2316
MaltotetraoseMaltotetraoseME416061--10.111665.2136
MannitolMannitolME416062--7.917181.0702
MannoseMannoseME416063--7.913179.0546
Met-AspMet-AspME416064--8.341263.0697
Met-GluMet-GluME416065--8.317277.0852
MethylacetateMethyl acetateME416066--4.11573.0279
Methyl-beta-galactopyranoside-ME416067--5.439193.0704
Methylsuccinic acidMethylsuccinic acidME416068--2.818131.0332
Met-IleMet-IleME416069--6.452261.1268
Met-SerMet-SerME416070--8.351235.0746
monosaccharide1-ME416071--5.471165.0753
monosaccharide2-ME416072--7.505215.0315
monosaccharide3-ME416073--7.694179.0546
N-Acetyl-D-galactosamine 4-sulfate-ME416074--7.25300.0384
N-Acetyl-DL-valine-ME416075--2.602158.0806
N-AcetylglucosaminylasparagineAspartylglycosamineME416076--9.688334.1245
N-AcetylhistidineN-AcetylhistidineME416077--8.234196.0714
N-Acetyl-L-glutamineN-AcetylglutamineME416078--8.748187.071
N-Acetyl-L-methionineN-AcetylmethionineME416079--3.23190.0528
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME416080--2.595206.0809
N-AcetylmannosamineN-Acetyl-mannosamineME416081--7.147220.0814
N-CinnamoylglycineCinnamoylglycineME416082--2.967204.0652
N-MethylalanineN-MethylalanineME416083--8.894102.0544
N-Methylthreonine-ME416084--7.981132.0652
N-MethylvalineN-Methyl-valineME416085--7.127130.0857
Orotic acidOrotic acidME416086--7.541155.0082
Parabanic acidParabanic acidME416087--1.511112.9975
Phe-AsnPhe-AsnME416088--8.185278.1136
Phe-GlyPhe-GlyME416089--7.666221.0919
Phe-LeuPhe-LeuME416090--5.784277.1547
Phenylpyruvic acidPhenylpyruvic acidME416091--1.487163.0384
Phe-PhePhe-PheME416092--5.906311.139
Phe-ThrPhe-ThrME416093--7.696265.1185
Phe-TyrPhe-TyrME416094--6.809327.1338
Phe-ValPhe-ValME416095--6.223263.1391
Phlorobenzophenone-ME416096--1.494229.0525
Pro-AlaPro-AlaME416097--8.052185.0917
Pro-AspPro-AspME416098--8.69229.0818
Pro-GlnPro-GlnME416099--8.786242.1135
Pro-GluPro-GluME416100--8.598243.0975
Pro-GlyPro-GlyME416101--8.4171.076
Propionic acidPropionic acidME416102--1.62373.0279
Pro-SerPro-SerME416103--8.734201.0867
Pro-ThrPro-ThrME416104--8.363215.1024
PseudouridinePseudouridineME416105--7.14243.061
PsicosePsicoseME416106--5.987179.0546
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME416107--7.26110.0231
Pyruvic acidPyruvic acidME416108--5.42187.0071
Quinic acidQuinic acidME416109--9.684191.0546
RaffinoseRaffinoseME416110--9.574503.1603
Resveratrol-3-O-sulfate-ME416111--0.976307.0267
Salicylic alcohol2-Hydroxybenzyl alcoholME416112--2.923123.0435
ScopoletinScopoletinME416113--1.043191.0333
Ser-AlaSer-AlaME416114--8.949175.0709
Ser-GlySer-GlyME416115--9.296161.0552
Ser-Gly-SerSer-Gly-SerME416116--9.667248.0878
Ser-MetSer-MetME416117--8.21235.0746
Ser-TyrSer-TyrME416118--8.419267.0977
Shikimic acidShikimic acidME416119--8.037173.044
Sinapic acidSinapic acidME416120--1.515223.0598
SorbitolSorbitolME416121--7.835181.0702
Tartaric acidTartaric acidME416122--10.063149.0076
TaurineTaurineME416123--7.901124.0058
Tauro-alpha-muricholic acidTauro-alpha-muricholic acidME416124--6.163514.2825
Tauro-beta-muricholic acidTauro-beta-muricholic acidME416125--5.872514.2825
Taurocholic acidTaurocholic acidME416126--6.29514.2821
Taurolithocholic acidTaurolithocholic acidME416127--4.625482.2928
Taurolithocholic acid sulfateTaurolithocholic acid sulfateME416128--5.802562.2493
Tauroursodeoxycholic acidTauroursodeoxycholic acidME416129--5.528498.2875
Thr-AspThr-AspME416130--9.233233.0767
Threonic acidThreonic acidME416131--9.672135.0283
ThreonineThreonineME416132--8.402118.0493
Thr-LeuThr-LeuME416133--7.766231.1339
Thr-ProThr-ProME416134--8.237215.1024
Thr-SerThr-SerME416135--9.25205.0816
Thr-ValThr-ValME416136--7.908217.1181
ThymidineThymidineME416137--2.738241.0817
trans-Traumatic acidTraumatic acidME416138--1.431227.1275
TrehaloseTrehaloseME416139--9.004341.1076
Trehalose-6-PhosphateTrehalose 6-phosphateME416140--10.143421.0741
Trisaccharide2-ME416141--9.638503.1602
Trp-ThrTrp-ThrME416142--7.642304.1292
Trp-ValTrp-ValME416143--6.583302.1499
Tyr-AspTyr-AspME416144--8.475295.0924
Tyr-IleTyr-IleME416145--6.877293.1497
Tyr-SerTyr-SerME416146--8.547267.0977
Tyr-ThrTyr-ThrME416147--8.222281.1132
Tyr-ValTyr-ValME416148--7.399279.1339
UracilUracilME416149--2.583111.0183
UridineUridineME416150--5.098243.0611
Val-AsnVal-AsnME416151--8.708230.1134
Val-AspVal-AspME416152--8.44231.0975
Val-GlyVal-GlyME416153--8.498173.0917
ValineValineME416154--7.938116.07
Val-LeuVal-LeuME416155--6.79229.1545
Val-SerVal-SerME416156--8.486203.1023
VanillinVanillinME416157--1.032151.0382
VerbascoseVerbascoseME416158--10.289827.2662
XanthosineXanthosineME416159--7.509283.0673
XyloseXyloseME416160--6.367149.044


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
ACar 10:0CAR 10:0ME416162--0.549316.2496
ACar 10:1CAR 10:1ME416163--0.503314.2337
ACar 11:1CAR 11:1ME416172--0.548328.2495
ACar 12:0CAR 12:0ME416164--0.711344.281
ACar 13:0CAR 13:0ME416173--0.758358.2966
ACar 13:1CAR 13:1ME416174--0.696356.2809
ACar 14:0CAR 14:0ME416175--1.051372.3122
ACar 14:2CAR 14:2ME416165--0.674368.281
ACar 15:2CAR 15:2ME416176--0.716382.2968
ACar 16:0CAR 16:0ME416166--1.61400.3438
ACar 16:1CAR 16:1ME416177--1.193398.328
ACar 16:2CAR 16:2ME416178--0.927396.3124
ACar 16:3CAR 16:3ME416179--0.758394.2967
ACar 16:4CAR 16:4*ME416180--0.674392.2809
ACar 18:0CAR 18:0ME416167--2.417428.3752
ACar 18:1CAR 18:1ME416168--1.783426.3593
ACar 18:2CAR 18:2ME416169--1.342424.3438
ACar 18:3CAR 18:3ME416170--1.055422.328
ACar 20:1CAR 20:1ME416181--2.567454.3909
ACar 8:1CAR 8:1ME416171--0.456286.2025
ACar 9:0CAR 9:0ME416182--0.489302.2339
CE 16:0CE 16:0ME416183--11.023647.5756
CE 16:1CE 16:1ME416184--10.477645.5615
CE 18:1CE 18:1ME416185--11.008673.5922
CE 18:2CE 18:2ME416186--10.544671.5769
CE 18:3CE 18:3ME416187--10.125669.5611
CE 20:3CE 20:3ME416188--10.623697.5927
CE 20:4CE 20:4ME416189--10.286695.577
CE 20:5CE 20:5ME416190--9.869693.5618
CE 22:6CE 22:6ME416191--10.045719.577
Ceramide 32:1;2O|Ceramide 16:1;2O/16:0Cer 16:1;O2/16:0ME416192--5.045510.4901
Ceramide 33:1;2O|Ceramide 17:1;2O/16:0Cer 17:1;O2/16:0ME416193--5.378524.506
Ceramide 34:0;2O|Ceramide 18:0;2O/16:0Cer 18:0;O2/16:0ME416194--5.953540.5375
Ceramide 36:2;2O|Ceramide 18:1;2O/18:1Cer 18:1;O2/18:1ME416195--5.815564.5374
Ceramide d38:1Cer 38:1;O2ME416196--7.116594.5848
Ceramide d40:1Cer 40:1;O2ME416197--7.777622.6161
Ceramide d41:1Cer 41:1;O2ME416198--8.095636.6319
Ceramide d42:1Cer 42:1;O2ME416199--8.408650.648
CholesterolCholesterolME416200--4.93369.3531
DAG 32:1DG 32:1ME416201--6.349584.5273
DAG 34:1DG 34:1ME416202--7.028612.5588
DAG 34:2DG 34:2ME416203--6.486610.543
DAG 36:2DG 36:2ME416204--7.089638.5747
DAG 36:3DG 36:3ME416205--6.553636.5589
DAG 36:4DG 36:4ME416206--6.002639.4985
DAG 36:5DG 36:5ME416207--5.552637.4829
DAG 38:5DG 38:5ME416208--6.398660.5591
DAG 38:6DG 38:6ME416209--5.874663.4989
DG 26:0DG 26:0ME416210--4.943507.4042
DG 28:0DG 28:0ME416211--5.607535.4356
DG 30:0|DG 14:0_16:0DG 14:0_16:0ME416212--6.28558.5117
DG 30:1DG 30:1ME416213--5.668561.4514
DG 32:0|DG 16:0_16:0DG 16:0_16:0ME416214--6.965586.5432
DG 32:2|DG 16:0_16:2DG 16:0_16:2ME416215--5.806582.5118
DG 33:0DG 33:0ME416216--7.301605.5141
DG 33:1DG 33:1ME416217--6.687603.4985
DG 34:0|DG 16:0_18:0DG 16:0_18:0ME416218--7.636614.5747
DG 34:4|DG 16:1_18:3DG 16:1_18:3ME416219--5.436606.512
DG 35:1|DG 17:0_18:1DG 17:0_18:1ME416220--7.36626.5746
DG 35:2|DG 17:1_18:1DG 17:1_18:1ME416221--6.753624.559
DG 35:3DG 35:3ME416222--6.225627.4986
DG 36:0|DG 18:0_18:0DG 18:0_18:0ME416223--8.269642.6058
DG 36:1|DG 18:0_18:1DG 18:0_18:1ME416224--7.027640.5901
DG 38:1DG 38:1ME416225--8.327673.5768
DG 38:3DG 38:3ME416226--7.195669.5456
DG 38:4|DG 18:1_20:3DG 18:1_20:3ME416227--6.718662.5754
DG 40:7DG 40:7ME416228--6.197689.5146
DGDG 36:3|DGDG 18:1_18:2DGDG 18:1_18:2ME416229--5.196960.6669
DGDG 36:4|DGDG 18:2_18:2DGDG (18:2/18:2)*ME416230--4.745958.6506
Gal-Gal-Cer d18:1/16:0 or Lactosylceramide d18:1/1...-ME416231--4.878862.629
GlcCer d42:1GlcCer 42:1;O2ME416232--7.746834.6829
GlcCer d42:2GlcCer 42:2;O2ME416233--7.074832.6672
HexCer 34:0;4O|HexCer 18:0;3O/16:0;(2OH)-ME416234--4.645734.5806
HexCer 34:1;3O|HexCer 18:1;2O/16:0;OHexCer 18:1;O2/16:0;OME416235--4.911716.5699
HexCer 34:1;4O|HexCer 18:1;3O/16:0;(2OH)-ME416236--4.352732.5647
HexCer 34:2;3O|HexCer 18:2;2O/16:0;OHexCer 18:2;O2/16:0;OME416237--4.555714.5544
HexCer 38:2;3O|HexCer 18:2;2O/20:0;OHexCer 18:2;O2/20:0;OME416238--5.843770.6176
HexCer 40:0;4O|HexCer 18:0;3O/22:0;(2OH)-ME416239--6.637818.6752
HexCer 40:1;3O|HexCer 18:1;2O/22:0;OHexCer 18:1;O2/22:0;OME416240--6.913800.6649
HexCer 40:1;4O|HexCer 18:1;3O/22:0;(2OH)-ME416241--6.259816.6597
HexCer 41:0;4O|HexCer 18:0;3O/23:0;(2OH)-ME416242--6.972832.6908
HexCer 42:0;4O|HexCer 18:0;3O/24:0;(2OH)-ME416243--7.301846.7069
HexCer 42:1;3O|HexCer 18:1;2O/24:0;OHexCer 18:1;O2/24:0;OME416244--7.564828.6962
HexCer 42:1;4O|HexCer 18:1;3O/24:0;(2OH)-ME416245--6.934844.6912
HexCer 44:1;3O|HexCer 20:1;2O/24:0;OHexCer 20:1;O2/24:0;OME416246--8.176856.7283
Lactosylceramide d18:1/24:1 15Z-ME416247--6.794972.7382
LPC 12:0/0:0LPC 12:0/0:0ME416254--0.651440.2789
LPC 14:0LPC 14:0ME416255--0.936468.3106
LPC 15:0LPC 15:0ME416256--1.158482.326
LPC 16:0LPC 16:0ME416257--1.444496.3415
LPC 16:1LPC 16:1ME416258--1.048494.3259
LPC 16:2/0:0LPC 16:2/0:0*ME416259--0.759492.3106
LPC 17:1LPC 17:1ME416248--1.29508.3416
LPC 18:0LPC 18:0ME416260--2.229524.3729
LPC 18:1LPC 18:1ME416261--1.599522.3572
LPC 18:2LPC 18:2ME416262--1.191520.3413
LPC 18:3LPC 18:3ME416263--0.927518.3262
LPC 19:0/0:0LPC 19:0/0:0ME416264--2.71538.3893
LPC 20:0LPC 20:0ME416249--3.081552.4049
LPC 20:1LPC 20:1ME416250--2.38550.3892
LPC 20:2LPC 20:2ME416251--1.786548.3731
LPC 20:3LPC 20:3ME416265--1.397546.3575
LPC 20:4LPC 20:4ME416266--1.161544.3415
LPC 20:5LPC 20:5ME416267--0.896564.308
LPC 22:4LPC 22:4ME416252--1.625572.3741
LPC 22:5LPC 22:5ME416268--1.268570.3575
LPC 22:6LPC 22:6ME416253--1.105590.3242
LPC o-16:0LPC O-16:0ME416269--1.72482.3624
LPC O-18:0LPC O-18:0ME416270--2.611510.394
LPC O-18:1LPC O-18:1ME416271--2.526508.3783
LPE 17:0LPE 17:0ME416272--1.849468.3105
LPE 18:0LPE 18:0ME416273--2.285482.326
LPE 18:1LPE 18:1ME416274--1.636480.3103
MGDG 36:3|MGDG 18:1_18:2MGDG 18:1_18:2ME416275--5.685798.6123
NAGly 42:5|NAGly 18:1/24:4-ME416276--5.459698.5749
NAGly 42:6|NAGly 18:2/24:4-ME416277--4.96696.5596
PC 28:0PC 28:0ME416278--4.327678.5094
PC 31:0PC 31:0ME416279--5.214720.5563
PC 32:0PC 32:0ME416280--5.548734.5726
PC 32:1PC 32:1ME416281--4.971732.5566
PC 32:2PC 32:2ME416282--4.538730.5413
PC 32:3PC 32:3ME416283--4.914728.5228
PC 33:0PC 33:0ME416284--5.757748.5884
PC 33:2PC 33:2ME416285--4.829744.5569
PC 34:0PC 34:0ME416286--6.207762.6041
PC 34:1PC 34:1ME416287--5.609782.5696
PC 34:2PC 34:2ME416288--5.133758.5725
PC 34:3 (PC 16:0_18:3)-ME416289--4.815756.5571
PC 35:1PC 35:1ME416290--5.927774.6046
PC 35:2PC 35:2ME416291--5.447772.5884
PC 35:3PC 35:3ME416292--4.91770.5728
PC 36:1PC 36:1ME416293--6.279788.6201
PC 36:2PC 36:2ME416294--5.77786.6042
PC 36:3PC 36:3ME416295--5.301784.5886
PC 36:4PC 36:4ME416296--5.04782.5726
PC 36:4 (PC 18:2_18:2)-ME416297--4.743782.5728
PC 36:5PC 36:5ME416298--4.648780.5572
PC 38:2PC 38:2ME416299--6.365814.6358
PC 38:4PC 38:4ME416300--5.669810.6042
PC 38:5PC 38:5ME416301--5.094830.5698
PC 38:6PC 38:6ME416302--4.9806.5731
PC 38:7PC 38:7ME416303--4.405804.5572
PC 40:6PC 40:6ME416304--5.501834.6046
PC 40:7PC 40:7ME416305--4.938832.5889
PC o-32:0PC O-32:0ME416306--5.951720.5931
PC p-38:4/PC o-38:5PC P-38:4 or PC O-38:5ME416307--5.452794.6089
PC p-38:5/PC o-38:6PC P-38:5 or PC O-38:6ME416308--5.227792.5929
SHexCer 34:1;3O|SHexCer 18:1;2O/16:0;O-ME416309--4.095796.5276
SHexCer 42:1;3O|SHexCer 18:1;2O/24:0;O-ME416310--6.39908.6541
SM 42:2;2OSM 42:2;O2ME416311--6.824813.6877
SM d32:0SM 32:0;O2ME416312--4.422677.5623
SM d32:1SM 32:1;O2ME416313--4.224675.5462
SM d33:1SM 33:1;O2ME416314--4.514689.562
SM d34:0SM 34:0;O2ME416315--5.052705.5934
SM d34:1SM 34:1;O2ME416316--4.823703.578
SM d34:2SM 34:2;O2ME416317--4.323701.5616
SM d36:0SM 36:0;O2ME416318--5.727733.6253
SM d36:1SM 36:1;O2ME416319--5.483753.5907
SM d36:2SM 36:2;O2ME416320--4.93729.5933
SM d38:0SM 38:0;O2ME416321--6.408761.6564
SM d38:1SM 38:1;O2ME416322--6.172759.6409
SM d38:2SM 38:2;O2ME416323--5.58757.6237
SM d39:1SM 39:1;O2ME416324--6.522773.6564
SM d40:0SM 40:0;O2ME416325--7.101789.688
SM d40:1SM 40:1;O2ME416326--6.852787.6723
SM d40:2SM 40:2;O2ME416327--6.266785.6562
SM d41:1SM 41:1;O2ME416328--7.177801.6877
SM d42:1SM 42:1;O2ME416329--7.514815.7043
SM d42:3SM 42:3;O2ME416330--6.258811.672
SPB 18:0;2OSphinganineME416331--1.494302.3065
TG 42:0TG 42:0ME416332--9.588745.6347
TG 42:1TG 42:1ME416333--9.072738.6637
TG 44:0TG 44:0ME416334--10.074768.71
TG 44:1TG 44:1ME416335--9.634771.6509
TG 46:1TG 46:1ME416336--10.099794.727
TG 48:1|TG 14:0_16:0_18:1TG 14:0_16:0_18:1ME416337--10.56822.7581
TG 48:2TG 48:2ME416338--10.217825.6979
TG 48:2|TG 12:0_18:1_18:1TG 12:0_18:1_18:1ME416339--10.129825.6979
TG 48:2|TG 14:0_16:0_18:2TG 14:0_16:0_18:2ME416340--10.133820.7425
TG 49:1TG 49:1ME416341--10.764836.7739
TG 50:0|TG 16:0_16:0_18:0TG 16:0_16:0_18:0ME416342--11.335852.8057
TG 50:1|TG 16:0_16:0_18:1TG 16:0_16:0_18:1ME416343--10.97850.7899
TG 50:2|TG 14:0_18:1_18:1TG 14:0_18:1_18:1ME416344--10.557853.7294
TG 50:2|TG 16:0_16:0_18:2TG 16:0_16:0_18:2ME416345--10.596853.7291
TG 50:3|TG 14:0_18:1_18:2TG 14:0_18:1_18:2ME416346--10.177851.7136
TG 50:3|TG 16:0_16:0_18:3TG 16:0_16:0_18:3ME416347--10.259851.7137
TG 52:1|TG 16:0_18:0_18:1TG 16:0_18:0_18:1ME416348--11.351883.7767
TG 52:2|TG 16:0_18:0_18:2TG 16:0_18:0_18:2ME416349--10.982876.8056
TG 52:3TG 52:3ME416350--10.591879.7448
TG 52:3|TG 16:0_18:1_18:2TG 16:0_18:1_18:2ME416351--10.616874.7901
TG 52:4|TG 16:0_18:2_18:2TG 16:0_18:2_18:2ME416352--10.246872.7742
TG 52:4|TG 16:1_18:1_18:2TG 16:1_18:1_18:2ME416353--10.238877.7289
TG 53:4|TG 17:1_18:1_18:2TG 17:1_18:1_18:2ME416354--10.419886.79
TG 54:2|TG 16:0_20:0_18:2TG 16:0_18:2_20:0ME416355--11.367909.7917
TG 54:3|TG 18:0_18:1_18:2TG 18:0_18:1_18:2ME416356--10.995907.7761
TG 54:4|TG 18:0_18:1_18:3TG 18:0_18:1_18:3ME416357--10.689905.7603
TG 54:4|TG 18:1_18:1_18:2TG 18:1_18:1_18:2ME416358--10.635900.8058
TG 54:5TG 54:5ME416359--10.291919.7194
TG 54:5|TG 18:0_18:2_18:3TG 18:0_18:2_18:3ME416360--10.347903.7452
TG 54:5|TG 18:1_18:2_18:2TG 18:1_18:2_18:2ME416361--10.276903.7447
TG 54:6|TG 18:1_18:2_18:3TG 18:1_18:2_18:3ME416362--9.894901.7286
TG 56:1|TG 16:0_22:0_18:1TG 16:0_18:1_22:0ME416363--11.947934.8841
TG 56:3|TG 20:0_18:1_18:2TG 18:1_18:2_20:0ME416364--10.997930.8519
TG 56:6|TG 18:1_18:1_20:4TG 18:1_18:1_20:4ME416365--10.494929.7613


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
Ceramide d32:1Cer 32:1;O2ME416366--5.017544.4485
Ceramide d33:1Cer 33:1;O2ME416367--5.342558.464
Ceramide d34:1Cer 34:1;O2ME416368--5.677572.4797
Ceramide d34:2Cer 34:2;O2ME416369--5.112594.5087
Ceramide d36:1Cer 36:1;O2ME416370--6.37600.5113
Ceramide d39:1Cer 39:1;O2ME416371--7.419666.6028
Ceramide d40:0Cer 40:0;O2ME416372--7.728682.6326
Ceramide d40:2Cer 40:2;O2ME416373--7.072678.6022
Ceramide d42:2Cer 42:2;O2ME416374--7.7706.6338
FA 10:0 (capric acid)Capric acidME416375--0.662171.1373
FA 11:0 (undecylic acid)Undecylic acidME416376--0.752185.153
FA 12:0 (lauric acid)Lauric acidME416377--0.958199.1688
FA 13:0 (tridecylic acid)Tridecylic acidME416378--1.191213.1844
FA 14:0 (myristic acid)Myristic acidME416379--1.505227.2002
FA 14:1 (physeteric acid)Physeteric acidME416380--1.091225.1845
FA 15:0 (pentadecylic acid)Pentadecylic acidME416381--1.891241.216
FA 15:1Pentadecenoic acidME416382--1.404239.2002
FA 16:0 (palmitic acid)Palmitic acidME416383--2.345255.2316
FA 16:1 (palmitoleic acid)Palmitoleic acidME416384--1.687253.2159
FA 17:0 (margaric acid)Margaric acidME416385--2.843269.2475
FA 18:0 (stearic acid)Stearic acidME416386--3.201283.2628
FA 18:1 (oleic acid)Oleic acidME416387--2.566281.2472
FA 18:2 (linoleic acid)Linoleic acidME416388--1.928279.2315
FA 18:3 (linolenic acid)Octadecatrienoic acidME416389--1.469277.2158
FA 20:0 (arachidic acid)Arachidic acidME416390--3.776311.2942
FA 20:1 (eicosenoic acid)Eicosenoic acidME416391--3.291309.2785
FA 20:2 (eicosadienoic acid)Eicosadienoic acidME416392--2.801307.2631
FA 20:3 (eicosatrienoic acid)Eicosatrienoic acidME416393--2.371305.2473
FA 20:3 (homo-gamma-linolenic acid)Dihomo-gamma-linolenic acidME416394--2.223305.2472
FA 20:4 (arachidonic acid)Arachidonic acidME416395--1.801303.2314
FA 20:5 (eicosapentaenoic acid)Eicosapentaenoic acidME416396--1.387301.2157
FA 22:0 (behenic acid)Behenic acidME416397--4.419339.3252
FA 22:1 (erucic acid)cis-Erucic acidME416398--3.828337.31
FA 22:2 (docosadienoic acid)Docosadienoic acidME416399--3.407335.2943
FA 22:5Docosapentaenoic acidME416400--2.001329.2471
FA 22:6 (docosahexaenoic acid)Docosahexaenoic acidME416401--1.595327.2313
FA 24:0 (lignoceric acid)Lignoceric acidME416402--5.134367.3565
FA 24:1 (nervonic acid)Nervonic acidME416403--4.443365.341
FA 26:0 (cerotic acid)Cerotic acidME416404--5.905395.3877
FA 28:0 (montanic acid)Montanic acidME416405--6.69423.4195
FA 8:0 (caprylic acid)Caprylic acidME416406--0.532143.1059
FAHFA 18:1/18:0-ME416407--6.04563.50293
FAHFA 18:1/20:0FAHFA 18:1/O-20:0ME416408--6.76591.53461
FAHFA 36:2|FAHFA 18:1/18:1FAHFA 18:1/O-18:1ME416409--5.862561.4871
GlcCerd14:14E/20:02OH-ME416413--4.883750.5273
GlcCer d38:1GlcCer 38:1;O2ME416410--6.222814.6401
GlcCer d40:1GlcCer 40:1;O2ME416411--7.065818.6273
GlcCer d41:1GlcCer 41:1;O2ME416412--7.388832.6419
LPE 16:0LPE 16:0ME416414--1.432452.2761
LPE 18:2LPE 18:2ME416415--1.179476.276
LPE 20:4LPE 20:4ME416416--1.151500.2764
LPE 22:6LPE 22:6ME416417--1.099524.2763
PC 35:4PC 35:4ME416418--4.712826.5584
PC 37:4PC 37:4ME416419--5.322854.5891
PC 38:3PC 38:3ME416420--5.912870.6211
SM d42:2SM 42:2;O2ME416421--6.788871.6886


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