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Analysis: GC

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
phosphatePhosphoric acidME2877911004C00009345365314
pyrophosphatePyrophosphateME2877841023C00013327517110
adenosine-5-monophosphateAMPME2879046083C000201041375315
glutamic acidGlutamic acidME28785433032C00025529100246
glycineGlycineME287847750C00037368707248
alanineAlanineME2879025950C00041243971116
succinic acidSuccinic acidME2877751110C00042370608247
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME287763445675C00043625003226
lysineLysineME2878245962C00047663483156
aspartic acidAspartic acidME2878945960C00049480387232
glutathioneGlutathioneME287851124886C00051761296213
cytidine-5-monophosphateCMPME2878766131C00055700635243
glutamineGlutamineME2878535961C00064600000156
serineSerineME2877795951C00065395020218
methionineMethionineME2878166137C00073483560176
ornithineOrnithineME2878016262C00077529384142
tryptophanTryptophanME2877666305C00078780482202
phenylalaninePhenylalanineME2877926140C00079537804218
tyrosineTyrosineME2877656057C00082671252218
ureaUreaME2877611176C00086338716189
glucose-6-phosphateGlucose 6-phosphateME2878555958C00092820524387
cysteineCysteineME2878795862C00097500158220
beta-alaninebeta-AlanineME287891239C00099435564248
glucose-1-phosphateGlucose 1-phosphateME28785665533C00103594647217
uracilUracilME2877621174C00106385735241
2-ketobutyric acid3-Methyl pyruvic acidME28792158C0010922535889
riboseRiboseME2877805779C00121553135217
fumaric acidFumaric acidME287865444972C00122390775245
leucineLeucineME2878266106C00123346357158
inosine-5'-monophosphateIMPME2878368582C001301018687169
histidineHistidineME2878416274C00135663790154
myo-inositolMyo-inositolME287812892C00137731021305
putrescinePutrescineME2877861045C00138588872174
adenineAdenineME287906190C00147646701264
prolineProlineME287788145742C00148364716142
asparagineAsparagineME2878956267C00152553078188
nicotinamideNiacinamideME287806936C00153471602179
citric acidCitric acidME287883311C00158617342273
mannoseMannoseME28781818950C00159645856205
UDP-glucuronic acidUDP-glucuronic acidME28776417473C00167587601217
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME287911439176C00170967036236
benzoic acidBenzoic acidME287892243C00180339067179
xyloseXyloseME287755135191C00181544100103
valineValineME2877596287C00183313502144
cholesterolCholesterolME2878855997C001871078536129
threonineThreonineME2877726288C00188408777218
ethanolamineEthanolamineME287870700C00189344719174
gluconic acid lactoneGluconolactoneME2878597027C00198645815220
adenosineAdenosineME28790560961C00212918039236
thymidineThymidineME2877715789C00214349402170
arachidonic acidArachidonic acidME287896444899C0021983433991
glucoseGlucoseME28785764689C00221657941319
guanineGuanineME287846764C00242744307352
taurineTaurineME2877741123C00245556690326
palmitic acidPalmitic acidME287798985C00249713809313
isomaltoseIsomaltoseME287831439193C00252983199160
glyceric acidGlyceric acidME287850439194C00258377495189
hypoxanthineHypoxanthineME287838790C00262619128265
homoserineHomoserineME28784012647C00263443878218
inosineInosineME2878376021C00294897434230
orotic acidOrotic acidME287800967C00295586317254
uridineUridineME2877606029C00299861508217
pyridoxinePyridoxineME2877851054C00314653546280
spermidineSpermidineME2877771102C00315792924144
D-erythro-sphingosineSphingosineME2878755280335C00319859500204
2-ketoadipic acidOxoadipic acidME28792271C00322331841100
citrullineCitrullineME2878829750C00327621404157
phosphoethanolaminePhosphoethanolamineME2877901015C00346603912299
thymidine-5-phosphateTMPME2877709700C00364608111170
tocopherol alpha-alpha-TocopherolME287769638015C003761067809237
xylitolXylitolME2877566912C00379567437217
xanthineXanthineME2877581188C00385701688353
guanosineGuanosineME2878456802C00387954962324
hexitolSorbitolME287842453C00392704741217
mannitolMannitolME2878196251C00392663215319
isoleucineIsoleucineME2878326306C00407359251158
aconitic acidcis-Aconitic acidME287907643757C00417586815229
5-aminovaleric acid5-Aminopentanoic acidME287912138C00431536657174
isocitric acidIsocitric acidME2878345318532C00451616323245
ribitolRibitolME287782827C00474575497217
glutaric acidGlutaric acidME287852743C00489421596261
raffinoseRaffinoseME287783439242C004921120886361
allantoic acidAllantoic acidME287901203C00499726050259
erythritolErythritolME287872222285C00503471922217
hydroquinoneHydroquinoneME287839785C00530422583239
lyxitolL-ArabitolME287823439255C00532573587217
3-phosphoglycerate3-Phosphoglyceric acidME287915724C00597610734227
N-acetylglutamateN-Acetylglutamic acidME28780870914C00624604748216
isothreonic acidD-Threonic acidME287830151152C00639489385292
malic acidMalic acidME287821525C00711463180233
oleic acidOleic acidME287802445639C00712781527339
creatinineCreatinineME287881588C00791502599115
sorbitolSorbitolME2877785780C00794667922217
gluconic acidGluconic acidME2878606857417C00800693148333
1-hexadecanolCetyl alcoholME2879302682C00823679596299
aminomalonateAminomalonic acidME287899100714C00872455754218
alpha-aminoadipic acidalpha-Aminoadipic acidME28790092136C00956574115260
galactoseGalactoseME287863439357C00984648756319
4-hydroxybutyric acid4-Hydroxybutyric acidME28791310413C00989325027233
N-acetylaspartic acidN-Acetylaspartic acidME28781065065C01042548028158
3-hydroxybutyric acid3-Hydroxybutyric acidME28791692135C01089278829191
fructose-1-phosphateFructose 1-phosphateME287868439394C01094803180387
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2877675810C01157484934140
galactinolGalactinolME28786411727586C012351000661204
cysteine-glycineCys-GlyME287878439498C01419715335220
lactic acidLactic acidME287829612C01432217657191
stearic acidStearic acidME2877765281C01530787622117
pelargonic acidPelargonic acidME2877958158C01601399229117
threonic acidThreonic acidME2877735460407C01620497572292
ribonic acidRibonic acidME2877815460677C01685599680292
xanthosineXanthosineME28775764959C01762926133325
erythroseErythroseME287871439574C01796443306205
maltotrioseMaltotrioseME287820439586C018351176044361
oxoprolineOxoprolineME2877997405C01879485935156
1-monopalmitinMG 16:0/0:0/0:0ME28792914900C01885901749129
arabitolArabitolME28789894154C01904570685217
cellobioseCellobioseME2878876255C01971943858160
pseudo uridinePseudouridineME28778715047C02067813899217
glucoheptuloseGlucoheptuloseME2878615459879C02076828606217
fucoseFucoseME287866439650C02095584895117
fructoseFructoseME287869439709C02336641863307
2-hydroxyglutaric acid2-Hydroxyglutaric acidME28792443C02630506306247
N-acetylputrescineN-AcetylputrescineME287807122356C02714595523174
2-aminobutyric acid2-Aminobutyric acidME2879266657C02721285825130
1,2,4-benzenetriol1,2,4-TrihydroxybenzeneME28793210787C02814521803239
beta-glycerolphosphatesn-Glycero-2-phosphateME2878902526C02979574470243
methionine sulfoxideMethionine sulfoxideME287815158980C02989637588128
glycerol-alpha-phosphatesn-Glycero-3-phosphateME287848754C03189590747357
inositol-4-monophosphateInositol 4-phosphateME287835440043C03546845976315
methyl O-D-galactopyranosideMethyl beta-D-galactosideME28781494214C03619630836204
glucosaminic acidGlucosaminic acidME28785873563C03752709426291
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME2879171662C03761521554247
N-acetylgalactosamineN-Acetyl-D-galactosamineME287809440552C05021725570202
fructose-6-phosphateFructose 6-phosphateME287867440641C05345804750315
glycerol-3-galactosideGalactosylglycerolME28784916048618C05401805227204
phenaceturic acidPhenylacetylglycineME28779368144C0559865435191
5-methoxytryptamine5-MethoxytryptamineME2879101833C05659864466174
adipic acidAdipic acidME287903196C06104474435111
caprylic acidCaprylic acidME287888379C06423343457201
myristic acidMyristic acidME28781111005C06424634414285
arachidic acidArachidic acidME28789710467C06425856421117
docosahexaenoic acidDocosahexaenoic acidME287873445580C0642990281991
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME28791816069996C06474588886231
lactuloseLactuloseME28782711333C07064929908204
acetophenone NISTAcetophenoneME2879087410C07113238615105
maleimideMaleimideME28782210935C07272245118154
1,5-anhydroglucitol1,5-AnhydrosorbitolME28793164960C07326632918191
behenic acidBehenic acidME2878938215C08281920648117
galacturonic acidGalacturonic acidME287862441476C08348678231333
palmitoleic acidPalmitoleic acidME287797445638C08362706508311
4',5-dihydroxy-7-glucosyloxyflavanoneNaringenin 7-O-beta-D-glucosideME28791492794C09099980985361
pantothenic acidPantothenic acidME2877966613C12276690887291
dihydrocholesterolDihydrocholesterolME28787466066C129781082070215
lactitolLactitolME287828157355C13542959541361
octadecylglycerolMG O-18:0ME2878043681C13858928878205
hexadecylglycerol NISTMG O-16:0ME28784372733C13859867593205
cis-gondoic acidcis-Gondoic acidME2878845282768C16526851223367
pentadecanoic acidPentadecylic acidME28779413849C16537674647117
oleamide NISTOleamideME2878035283387C19670849710144
1-monostearinMG 18:0/0:0/0:0ME28792824699D01947959214203
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME28792723368901-397526241
2-deoxypentitol NIST2-Deoxy-D-ribitolME287925249377-521785231
2-hydroxyvaleric acid2-Hydroxyvaleric acidME28792398009-309587131
2-monooleinMG 0:0/18:1(9Z)/0:0ME2879205319879-941794129
2-monopalmitinMG 0:0/16:0/0:0ME287919123409-890356129
5-methyluridine NISTRibothymidineME287909445408-875222259
butyrolactam NIST2-PyrrolidinoneME28788912025-277199142
cerotinic acidCerotic acidME28788610469-1033286145
cyanoalanineCyanoalanineME287880--404807141
cytidineCytidineME287877--934269223
heptadecanoic acidMargaric acidME28784410465-751309117
isohexonic acid-ME287833604-698302333
levoglucosanGlucosanME2878252724705-569637204
methanolphosphateMethanolphosphateME28781713130-289520241
monomyristinMG 14:0ME28781379050-838305343
octadecanolStearyl alcoholME2878058221-755409327
pipecolinic acidPipecolic acidME2877896931662-404121156
trans-4-hydroxy-L-prolinetrans-4-HydroxyprolineME287768--459475158


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
15N2-L-Arginine iSTD-ME287933--9.21177.1114
1-Deoxy-1-(methylamino)-D-galactitol-ME287956--8.31196.1167
1-Methyladenosine B-ME287957--7.15282.1189
1-Methylguanosine1-MethylguanosineME287958--5.55298.1131
1-Methylnicotinamide1-Methyl nicotinamideME287959--6.01137.0696
2,6-Diaminopimelic acid2,6-Diaminopimelic acidME287960--9.63191.1021
2-Aminopyridine-ME287961--5.1495.0594
2'-DeoxycytidineDeoxycytidineME287962--5.78228.0965
2'-Deoxyguanosine 5'-monophosphatedGMPME287963--8.9348.0684
2-DeoxyuridineDeoxyuridineME287964--2.86229.084
2-Methylbutyryl-L-carnitineCAR 4:0;2MeME287965--5.13246.1693
2'-O-Methylcytidine2'-O-MethylcytidineME287966--4.99258.1068
2-Pyridone2-HydroxypyridineME287967--2.2196.0446
3,5-Dihydroxyphenylglycine-ME287968--8.02184.0703
3-Aminotyrosine-ME287969--7.98197.088
(3-Carboxypropyl)trimethylammonium-ME287953--7.6146.1162
3-Chlorotyrosine3-ChlorotyrosineME287970--6.8216.0402
3-HydroxybutyrylcarnitineCAR 4:0;3OHME287971--7.34248.1487
3-Hydroxyprolinecis-3-HydroxyprolineME287972--7.67132.0632
3-Indolepropionic acid3-Indolepropionic acidME287973--1.25190.085
3-Methylhistidine3-MethylhistidineME287974--9.15170.0918
3'-O-Methylinosine-ME287975--4.26283.1049
4-Acetamidobutyric acid4-Acetamidobutanoic acidME287976--2.23146.0799
4-Aminobenzoic acidp-Aminobenzoic acidME287977--7.21138.0536
4-Guanidinobutyric acid4-Guanidinobutanoic acidME287978--7.44146.0897
4-Hydroxy-3-methoxymandelic acid-ME288033--0.97149.0222
4-Hydroxybenzylcyanide4-HydroxybenzeneacetonitrileME287979--1.39134.0591
4-Hydroxymandelonitrile4-HydroxymandelonitrileME287980--2.56150.0566
4-Imidazoleacrylic acidUrocanic acidME287981--3.84139.0487
4-Methyl-5-thiazoleethanol?5-(2-Hydroxyethyl)-4-methylthiazoleME287982--1.31144.0463
4-Picoline-ME287983--4.5494.0646
4-Pyridoxate4-Pyridoxic acidME287984--2.09184.059
4-Trimethylammoniobutanoic acid3-DehydroxycarnitineME287985--7.49147.1197
5'-S-Methyl-5'-thioadenosine5'-MethylthioadenosineME287986--1.98298.0974
6-Aminoindazole-ME287987--1.29134.0697
6-Methoxynaphthaleneacetic acid6-Methoxy-2-naphthylaceticacidME287988--1.2217.0852
8-Oxo-2-deoxyadenosine8-Oxo-2'-deoxyadenosineME287989--4.83268.1034
AcetaminophenAcetaminophenME287990--1.35152.0689
AcetylcarnitineCAR 2:0ME287991--6.97204.123
Acetyl-L-carnitineCAR 2:0ME287992--12.91204.1213
AdenineAdenineME287993--4.49136.0603
AdenosineAdenosineME287994--4.66268.1045
Adenosine 5'-monophosphateAMPME287995--8.81348.0687
Ala-IleAla-IleME287996--7.48203.1379
ArginineArginineME287997--9.21175.1187
Aspartic acidAspartic acidME287998--8.94134.0432
Asp-GluAsp-GluME287999--9.39263.0859
Benzyldimethylstearylammonium cation-ME288000--1.47388.3912
beta-Alaninebeta-AlanineME288001--7.8190.0539
beta-Homophenylalanine-ME288002--1.91180.0998
BetaineBetaineME288003--6.98118.0862
beta-Nicotinamide adenine dinucleotideNADME288004--9.48664.1144
BetonicineBetonicineME288005--7.42160.0955
BiliverdinBiliverdinME288006--1.45583.2526
BiotinBiotinME288007--2.75245.0974
Bisphenol A bis(2,3-dihydroxypropyl) ether-ME288008--1.46394.2206
CaffeineCaffeineME288009--1.25195.0863
Carbamic acid, N-(2,2-diphenylacetyl)-, ethyl este...-ME288010--1.22167.0847
CarnitineCarnitineME288011--7.46162.112
CetirizineCetirizineME288012--1.58389.1609
CholineCholineME288013--5.07104.1067
cis-lambda-Viniferin-ME288014--1.01241.1781
CitrullineCitrullineME288015--8.55176.1017
CocamidoprpylBetaine-ME288016--4.22343.2941
CorticosteroneCorticosteroneME288017--1.15347.2202
Cortodoxone11-DeoxycortisolME288018--1.08347.22
CreatineCreatineME288019--7.81154.057
CreatinineCreatinineME288020--4.78114.0662
CUDA iSTD-ME287934--1.2341.2806
Cysteine-glutathione disulfideS-Glutathionyl-cysteineME288021--9.76298.051
CystineCystineME288022--9.64241.0296
CytidineCytidineME288023--6.7244.092
Cytidine 5'-diphosphate ethanolamineCDP-EthanolamineME288024--9.62447.0644
Cytidine 5'-diphosphocholineCDP-cholineME288025--9.57489.1123
D3-1-Methylnicotinamide iSTD-ME287935--6.01140.0895
D3-AC(2:0) iSTD-ME287936--6.98207.1417
D3-Creatine iSTD-ME287937--7.81135.0951
D3-Creatinine iSTD-ME287938--4.79117.0847
D3-DL-Alanine iSTD-ME287939--7.8293.0728
D3-DL-Aspartic acid iSTD-ME287940--8.93137.0625
D3-DL-Glutamic acid iSTD-ME287941--8.5151.0785
D3-Histamine, N-methyl- iSTD-ME287942--7.09129.1202
D3-L-Carnitine iSTD-ME287943--7.51165.131
D5-L-Glutamine iSTD-ME287944--8.32152.107
D9-Betaine iSTD-ME287945--6.99127.1424
D9-Butyrobetaine iSTD-ME287946--7.54155.1739
D9-Caffeine iSTD-ME287947--1.25204.1438
D9-Choline iSTD-ME287948--5.05113.1634
D9-Crotonobetaine iSTD-ME287949--7.57153.1583
D9-TMAO iSTD-ME287950--5.3685.1319
Deferiprone-ME288026--5.82140.0692
Dehydrocholic acidDehydrocholic acidME288027--1.12403.2568
Desmethylranitidine-ME288121--5.39301.1313
Didodecyl 3,3'-thiodipropionate-ME288028--0.93515.4088
Dihydro-4,4-dimethyl-2,3-furandione2-DehydropantolactoneME288029--0.98129.0531
DihydrocapsaicinDihydrocapsaicinME288030--1.22308.2183
Dihydrocoumarin3,4-Dihydro-2H-1-benzopyran-2-oneME288031--1149.0576
Diphenylmethylphosphine oxide-ME288032--1.25217.0759
EcgonineEcgonineME288035--7.38186.1111
ErgothioneineErgothioneineME288036--7.54230.0939
Erucamide13Z-DocosenamideME288037--1.02338.3416
Ethylhexadecyldimethylammonium cation-ME288038--1.46298.3451
EthylhexanoateEthyl hexanoateME288039--1.12145.1208
Flavin-adenine-dinucleotideFADME288040--9.31786.1602
Galacto-N-biose-ME288041--8.14406.1299
GalactosamineGalactosamineME288042--8.2180.0865
gamma-Glutamylglutaminegamma-GlutamylglutamineME288044--9.3276.1178
gamma-Glutamylleucinegamma-GlutamylleucineME288045--7.76261.1431
gamma.-Glutamyl-L-glutamic acidgamma-Glutamylglutamic acidME288043--9.14277.1013
Glu-Gly-ArgGlu-Gly-ArgME288046--8.49361.183
Glutamic acidGlutamic acidME288047--8.51148.0592
GlutamineGlutamineME288048--8.31147.0758
Glutathione (oxidized)GlutathioneME288049--9.9613.1558
Glutathione (reduced)GlutathioneME288050--8.8308.0907
GlycineGlycineME288051--8.1176.0383
Glycocholic acidGlycocholic acidME288052--5.9466.3143
Glycodeoxycholic acidGlycodeoxycholic acidME288053--4.09472.3004
Gly-LeuGly-LeuME288054--7.23189.1222
Gly-TyrGly-TyrME288055--7.74239.1043
GuanineGuanineME288056--6.23152.0553
Guanosine 5'-monophosphateGMPME288057--9.34364.0631
Heptadecasphing-4-enineC17 SphingosineME288058--4.12286.2729
Hexanoyl-L-carnitineCAR 6:0ME288059--4.78260.1845
Hippuric acidHippuric acidME288060--1.45180.0636
HistidineHistidineME288061--9.15156.0756
HomoarginineHomoarginineME288062--9.1189.1331
HomoserineHomoserineME288063--8.09120.0639
HypoxanthineHypoxanthineME288064--4.65137.0452
IndomethacinIndomethacinME288065--1.16358.0836
InosineInosineME288066--6.07269.0868
Inosine-5'-monophosphateIMPME288067--9.04349.0529
Isobutylamine-ME288068--4.8774.0954
IsoleucineIsoleucineME288069--6.94132.101
IsomaltoseIsomaltoseME288070--8.47365.1037
Ketoisovaleric acidKetoisovaleric acidME288071--2.97117.0534
KynurenineKynurenineME288072--6.63209.0904
Lauroyl-L-carnitineCAR 12:0ME288073--2.37344.2793
Linoleic acidLinoleic acidME288074--1.05281.2459
LinoleoylcarnitineCAR 18:2ME288075--1.49424.3405
LysineLysineME288076--9.29147.112
MaltotrioseMaltotrioseME288077--9.32505.1732
MethionineMethionineME288078--7.15150.0573
Methioninesulfoxide A-ME288079--8.27166.0516
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME288084--5.33312.1286
N8-AcetylspermidineN8-AcetylspermidineME288085--8.65188.1744
N-Acetyl-5-hydroxytryptamineN-AcetylserotoninME288086--3.45219.1126
N-AcetylhistidineN-AcetylhistidineME288087--7.85198.085
N-Acetyl-L-carnosineN-AcetylcarnosineME288088--8.11269.123
N-AcetylsulfamethoxazoleN-AcetylsulfamethoxazoleME288089--1.23296.0682
N-.alpha.-Acetyl-L-arginineN-AcetylarginineME288082--7.84217.128
N.alpha.-Methyl-L-lysineN(2)-Methyl-lysineME288083--6.73144.1005
N-.alpha.-(tert-Butoxycarbonyl)-L-histidine-ME288081--9.1110.0702
NaproxenNaproxenME288090--1.15231.101
NelfinavirNelfinavirME288091--1.18568.3255
N-epsilon-AcetyllysineN6-AcetyllysineME288093--7.8189.122
Nicotinic acidNicotinic acidME288094--4.12124.0384
N-MethylanilineN-MethylanilineME288095--1.03108.0791
N-Methylglutamic acidN-Methyl-glutamic acidME288096--8.11162.0744
N-MethylhistidineN-MethylhistidineME288097--8.69170.0924
N-MethylisoleucineN-MethylisoleucineME288098--6.21146.1161
N-MethyllysineN(6)-MethyllysineME288099--9.05161.1273
N-Methylphenylalanine-ME288100--5.85180.1003
N-MethylprolineN-Methyl-prolineME288101--6.95130.085
N,N-DimethylarginineDimethylarginineME288080--8.7203.1494
NorleucineNorleucineME288102--6.75132.1012
N-trimethyllysineN-6-TrimethyllysineME288092--8.99189.1586
Octadecanedioic acidOctadecanedioic acidME288103--1.15315.2516
OrnithineOrnithineME288104--9.33133.0957
Pantothenic acidPantothenic acidME288105--3.58220.1173
ParaxanthineParaxanthineME288106--1.49181.0705
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME288107--5.74265.119
PhenylacetylglycinePhenylacetylglycineME288108--2.59194.0817
Phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME288109--5.74287.0996
PhenylalaninePhenylalanineME288110--6.61166.0862
PhosphocholineCholine phosphateME288111--9.58184.0718
Pipecolic acidPipecolic acidME288112--9.29130.0855
PiperinePiperineME288113--1.06286.1422
ProlineProlineME288114--7.5116.0694
PropionylcarnitineCAR 3:0ME288115--6.19218.1386
Pro-ProPro-ProME288116--7.66213.1211
(+)-PseudoephedrinePseudoephedrineME287952--4.14148.1114
PseudouridinePseudouridineME288117--4.8245.0749
PyridoxalPyridoxalME288118--1.88168.0641
PyridoxinePyridoxineME288119--3.14170.0796
Pyroglutamic acidPyroglutamic acidME288120--8.5130.0488
RanitidineRanitidineME288122--4.93315.1487
Ranitidine N-oxide-ME288123--5.6331.1427
(R)-ButyrylcarnitineCAR 4:0ME287954--5.55232.1542
Retinoic acidRetinoic acidME288124--1.13301.2142
S-Adenosyl-homocysteineS-AdenosylhomocysteineME288125--8.49385.1272
S-Adenosyl-methionineS-AdenosylmethionineME288126--9.45399.1425
SerineSerineME288127--8.38106.0486
SerotoninSerotoninME288128--5.61177.1004
Ser-ProSer-ProME288129--8203.1124
StachydrineStachydrineME288130--6.84144.101
SucroseSucroseME288131--8.163333333360.1483
SulfamethoxazoleSulfamethoxazoleME288132--1.16254.058
TaurineTaurineME288133--7.46126.0212
TheobromineTheobromineME288134--1.46181.0705
ThreonineThreonineME288135--7.98120.0642
TocainideTocainideME288136--4.69193.1415
trans-Nicotine-1'-oxide-ME288137--6.06179.1164
TrehaloseTrehaloseME287955--8.58360.1479
TrimethoprimTrimethoprimME288138--4.04291.1436
Trimethylamine N-oxideTrimethylamine N-oxideME288139--5.476.0752
TryptophanTryptophanME288140--6.58205.0958
TuranoseTuranoseME288034--8.46360.148
TyrosineTyrosineME288141--7.43182.0795
UDP-galactoseUDP-galactoseME288142--9.756666667584.086
UreaUreaME288143--2.6461.0398
Uridine-5-diphosphoacetylglucosamineUDP-N-acetylglucosamineME288145--9.62625.1119
Uridine 5'-monophosphateUMPME288144--8.89325.0422
Urocanic acidUrocanic acidME288146--3.69139.0502
Val-Tyr-Val iSTD-ME287951--6.64380.218
Vanillic acidVanillic acidME288147--8.3169.057


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
AC(10:0)CAR 10:0ME288162--0.57316.2503
AC(10:1)CAR 10:1ME288163--0.53314.232
AC(12:1)CAR 12:1ME288164--0.65342.2622
AC(14:2)CAR 14:2ME288165--0.71368.2792
AC(16:0)CAR 16:0ME288166--1.58400.3439
AC(18:1)CAR 18:1ME288167--1.73426.3577
AC(18:2)CAR 18:2ME288168--1.32424.3436
CE(16:1)CE 16:1ME288169--10.43645.5568
CE(18:1)CE 18:1ME288170--10.99673.5898
CE(18:2)CE 18:2ME288171--10.516666671017.9407
CE(18:3)CE 18:3ME288172--10.105669.5598
CE(20:3)CE 20:3ME288173--10.58697.5928
CE(20:4)CE 20:4ME288174--10.27695.5732
CE(20:5)CE 20:5ME288175--9.82693.5574
CE(22:1) iSTD-ME288148--11.811076.0135
CE(22:6)CE 22:6ME288176--10719.573
Cer(d18:1/17:0) iSTD-ME288149--6.04534.5242
Cer(d34:1)Cer 34:1;O2ME288177--5.703333333538.5183
Cer(d36:1)Cer 36:1;O2ME288178--6.4566.5504
Cer(d38:1)Cer 38:1;O2ME288179--7.09594.5817
Cer(d40:1)Cer 40:1;O2ME288180--7.775622.612
Cer(d41:1)Cer 41:1;O2ME288181--8.1636.6285
Cer(d42:1)Cer 42:1;O2ME288182--8.41650.6438
Cer(d42:2) ACer 42:2;O2ME288183--7.74648.6258
Cer(d42:2) BCer 42:2;O2ME288184--7.86630.6168
CholesterolCholesterolME288185--4.89369.3522
Cholesterol d7 iSTD-ME288150--4.86376.3957
CUDA iSTD-ME288151--0.77341.2806
DG(12:0/12:0/0:0) iSTD-ME288152--4.296666667495.3461
DG(18:1/2:0/0:0) iSTD-ME288153--3.173333333421.293
DG(32:1)DG 32:1ME288186--6.31584.5203
DG(34:0)DG 34:0ME288187--7.61619.5252
DG(34:1)DG 34:1ME288188--7633.4887
DG(34:2)DG 34:2ME288189--6.455610.5454
DG(36:1)DG 36:1ME288190--7.66645.5408
DG(36:2)DG 36:2ME288191--7.05638.579
DG(36:3)DG 36:3ME288192--6.52641.5128
DG(36:4) ADG 36:4ME288193--5.99634.5394
DG(36:6)DG 36:6ME288194--5.18651.4289
GlcCer(d34:1)GlcCer 34:1;O2ME288195--4.866666667862.6236
GlcCer(d40:1)GlcCer 40:1;O2ME288196--7.11784.6645
GlcCer(d42:1)GlcCer 42:1;O2ME288197--7.76812.6954
GlcCer(d42:2)GlcCer 42:2;O2ME288198--7.083333333810.6809
Lactosylceramide (d18:1/24:1(15Z))LacCer 18:1;O2/24:1ME288199--6.81972.7347
LPC(14:0)LPC 14:0ME288207--0.98468.3094
LPC(15:0)LPC 15:0ME288208--1.2482.3261
LPC(16:0)LPC 16:0ME288209--1.49496.3401
LPC(16:1)LPC 16:1ME288210--1.09494.3238
LPC(17:0) iSTD-ME288154--1.84510.3556
LPC(18:0)LPC 18:0ME288211--2.26524.3709
LPC(18:1)LPC 18:1ME288212--1.64522.3552
LPC(18:2)LPC 18:2ME288213--1.23520.3397
LPC(18:3)LPC 18:3ME288214--0.99518.3251
LPC (20:0)LPC 20:0ME288200--3.07552.4034
LPC (20:1)LPC 20:1ME288201--2.41550.3866
LPC (20:2)LPC 20:2ME288202--1.82548.3715
LPC(20:3)LPC 20:3ME288215--1.43546.3559
LPC(20:4)LPC 20:4ME288216--1.2544.3394
LPC(20:5)LPC 20:5ME288217--0.96542.3251
LPC(22:5)LPC 22:5ME288218--1.3570.3561
LPC (22:6)LPC 22:6ME288203--1.15568.3398
LPC (o-16:0)LPC O-16:0ME288204--1.76482.3659
LPC (p-16:0) or LPC (o-16:1)LPC P-16:0 or LPC O-16:1ME288205--1.7480.3401
LPC (p-18:0) or LPC (o-18:1)LPC P-18:0 or LPC O-18:1ME288206--1.91508.3762
LPE(17:1) iSTD-ME288155--1.35466.293
LPE(18:0)LPE 18:0ME288219--2.32482.3252
LPE(18:2)LPE 18:2ME288220--1.26478.2947
LPE(20:4)LPE 20:4ME288221--1.15502.2961
MG(17:0/0:0/0:0) iSTD-ME288156--3.05367.281
PC(12:0/13:0) iSTD-ME288157--3.53636.4604
PC (16:0/9:0(CHO))-ME288222--2.39650.4379
PC(28:0)PC 28:0ME288242--4.29678.5065
PC(30:0)PC 30:0ME288243--4.885706.542
PC 30:0e;PC O-30:0ME288231--5.25692.5603
PC 30:1;PC 30:1ME288232--4.38704.5229
PC(31:0)PC 31:0ME288244--5.19720.5562
PC(31:1)PC 31:1ME288245--4.67718.538
PC(32:0)PC 32:0ME288246--5.53734.5693
PC(32:1)PC 32:1ME288247--4.975732.5535
PC(32:2)PC 32:2ME288248--4.5730.5379
PC(33:0)PC 33:0ME288249--5.74748.5833
PC(33:1)PC 33:1ME288250--5.28746.5688
PC 33:1e;PC O-33:1ME288233--5.66732.5886
PC(33:2)PC 33:2ME288251--4.79744.5536
PC(34:0)PC 34:0ME288252--6.19762.6015
PC(34:1)PC 34:1ME288253--5.6760.5865
PC 34:1e;PC O-34:1ME288234--5.99746.6048
PC(34:2)PC 34:2ME288254--5.09758.5705
PC(34:3) APC 34:3ME288255--4.59756.553
PC(34:3) BPC 34:3ME288256--4.68756.5531
PC(34:3) CPC 34:3ME288257--4.78756.553
PC(34:4)PC 34:4ME288258--4.42754.5377
PC(35:1)PC 35:1ME288259--5.93774.5993
PC(35:2) APC 35:2ME288260--5.34772.5847
PC(35:2) BPC 35:2ME288261--5.43772.5846
PC(35:3)PC 35:3ME288262--4.88770.5693
PC(35:4)PC 35:4ME288263--4.71768.5536
PC 36:0;PC 36:0ME288235--6.85790.6329
PC(36:1)PC 36:1ME288264--6.26788.6168
PC 36:1e;PC O-36:1ME288236--6.67774.636
PC(36:2)PC 36:2ME288265--5.75786.6017
PC(36:3) APC 36:3ME288266--5.165784.5851
PC(36:3) BPC 36:3ME288267--5.265784.5853
PC 36:3e;PC O-36:3ME288237--5.65770.6046
PC(36:4) APC 36:4ME288268--4.72782.5688
PC(36:4) BPC 36:4ME288269--4.88782.5688
PC(36:4) CPC 36:4ME288270--5.01782.5703
PC(36:5)APC 36:5ME288273--4.32780.5532
PC(36:5) CPC 36:5ME288271--4.5780.5536
PC(36:5) DPC 36:5ME288272--4.61780.5532
PC(36:6)PC 36:6ME288274--4.28778.5396
PC(37:2)PC 37:2ME288275--6.08800.6157
PC (37:3)PC 37:3ME288223--5.49798.6008
PC(37:4)PC 37:4ME288276--5.23796.5832
PC(37:5)PC 37:5ME288277--4.9794.5715
PC(37:6)PC 37:6ME288278--4.56792.5548
PC(38:1)PC 38:1ME288279--6.92816.6507
PC(38:2)PC 38:2ME288280--6.35814.6325
PC(38:4) APC 38:4ME288281--5.33810.5996
PC(38:4) BPC 38:4ME288282--5.46810.5999
PC(38:4) CPC 38:4ME288283--5.65810.6022
PC(38:5) APC 38:5ME288284--5.06808.585
PC(38:6) BPC 38:6ME288285--4.865806.5701
PC(38:7)PC 38:7ME288286--4.35804.5543
PC(39:4)PC 39:4ME288287--5.98824.6158
PC (39:6)PC 39:6ME288224--5.14820.5824
PC 40:0;PC 40:0ME288238--8.13846.6932
PC(40:4)PC 40:4ME288288--6.12838.6311
PC(40:5) APC 40:5ME288289--5.67836.6161
PC(40:5) BPC 40:5ME288290--5.91836.6161
PC(40:6) APC 40:6ME288291--5.15834.6027
PC(40:6)BPC 40:6ME288292--5.47834.6
PC(40:7) APC 40:7ME288293--4.78832.5848
PC(40:7) BPC 40:7ME288294--4.9832.5847
PC(40:8)PC 40:8ME288295--4.5830.5683
PC 42:0;PC 42:0ME288239--8.72874.7247
PC(42:10)PC 42:10ME288296--4.36854.5724
PC 42:2;PC 42:2ME288240--7.56870.6937
PC (42:5)PC 42:5ME288225--6.14864.6444
PC (42:6)PC 42:6ME288226--5.79862.6357
PC 44:2;PC 44:2ME288241--8.15898.7256
PC(o-32:0)PC O-32:0ME288297--5.915720.5897
PC(o-34:0)PC O-34:0ME288298--6.61748.6205
PC (p-32:0) or PC (o-32:1)PC P-32:0 or PC O-32:1ME288227--5.82718.5704
PC(p-32:1)/PC(o-32:2)PC P-32:1 or PC O-32:2ME288299--4.89716.5589
PC(p-34:1)/PC(o-34:2)PC P-34:1 or PC O-34:2ME288300--5.48744.5889
PC(p-34:2)/PC(o-34:3)PC P-34:2 or PC O-34:3ME288301--5.38742.5718
PC(p-36:1)/PC(o-36:2) APC P-36:1 or PC O-36:2ME288302--6.15772.6201
PC(p-36:1)/PC(o-36:2) BPC P-36:1 or PC O-36:2ME288303--6.56772.6173
PC(p-36:2)/PC(o-36:3)PC P-36:2 or PC O-36:3ME288304--6.05770.6049
PC (p-36:3) or PC (o-36:4)PC P-36:3 or PC O-36:4ME288228--5.38768.5889
PC(p-36:4)/PC(o-36:5)PC P-36:4 or PC O-36:5ME288305--5.27766.5709
PC(p-36:5)/PC(o-36:6)PC P-36:5 or PC O-36:6ME288306--4.87764.5576
PC (p-38:2) or PC (o-38:3)PC P-38:2 or PC O-38:3ME288229--6.33798.6368
PC(p-38:3)/PC(o-38:4) APC P-38:3 or PC O-38:4ME288307--5.85796.6181
PC(p-38:3)/PC(o-38:4) BPC P-38:3 or PC O-38:4ME288308--6.03796.6183
PC(p-38:4)/PC(o-38:5) APC P-38:4 or PC O-38:5ME288309--5.43794.6041
PC(p-38:5)/PC(o-38:6) APC P-38:5 or PC O-38:6ME288310--5.19792.5881
PC(p-38:5)/PC(o-38:6) BPC P-38:5 or PC O-38:6ME288311--5.32792.5889
PC(p-38:6)/PC(o-38:7)PC P-38:6 or PC O-38:7ME288312--5.09790.5735
PC(p-40:3)/PC(o-40:4)PC P-40:3 or PC O-40:4ME288313--6.72824.6519
PC(p-40:4)/PC(o-40:5)PC P-40:4 or PC O-40:5ME288314--6.06822.6352
PC(p-40:5)/PC(o-40:6)PC P-40:5 or PC O-40:6ME288315--5.83820.6205
PC(p-40:6)/PC(o-40:7) APC P-40:6 or PC O-40:7ME288316--5.25818.604
PC (p-42:3) or PC (o-42:4)PC P-42:3 or PC O-42:4ME288230--7.37852.683
PC(p-42:4)/PC(o-42:5)PC P-42:4 or PC O-42:5ME288317--6.7850.6678
PC(p-42:5)/PC(o-42:6) APC P-42:5 or PC O-42:6ME288318--6.14848.6517
PC(p-42:5)/PC(o-42:6) BPC P-42:5 or PC O-42:6ME288319--6.58848.6504
PC(p-44:4)/PC(o-44:5)PC P-44:4 or PC O-44:5ME288320--7.34878.6984
PE(17:0/17:0) iSTD-ME288158--6.38720.5533
PE(34:2)PE 34:2ME288321--5.19716.5275
PE(36:1)PE 36:1ME288322--6.45746.5699
PE(36:2)PE 36:2ME288323--5.93744.5665
PE(36:4)PE 36:4ME288324--5.17740.5233
PE(38:4)PE 38:4ME288325--5.82768.5538
PE(38:6)PE 38:6ME288326--5764.5232
PE(p-34:1)/PE(o-34:2)PE P-34:1 or PE O-34:2ME288327--6.11702.5424
PE(p-36:1)/PE(o-36:2)PE P-36:1 or PE O-36:2ME288328--6.79730.5749
PE(p-36:2)/PE(o-36:3)PE P-36:2 or PE O-36:3ME288329--6.27728.558
PE(p-36:4)/PE(o-36:5)PE P-36:4 or PE O-36:5ME288330--5.46724.5268
PE(p-38:4)/PE(o-38:5)PE P-38:4 or PE O-38:5ME288331--6.13752.5591
PE(p-38:5)/PE(o-38:6)PE P-38:5 or PE O-38:6ME288332--5.52750.5433
PE(p-40:4)/PE(o-40:5)APE P-40:4 or PE O-40:5ME288333--6.61780.5872
PE(p-40:5)/PE(o-40:6)PE P-40:5 or PE O-40:6ME288334--6.15778.5757
SM(d18:1/17:0) iSTD-ME288159--5.13717.5894
SM(d30:1)SM 30:1;O2ME288340--3.66647.5103
SM(d32:1)SM 32:1;O2ME288341--4.2675.5423
SM(d32:2)SM 32:2;O2ME288342--3.74673.5268
SM(d33:1)SM 33:1;O2ME288343--4.5689.5582
SM(d34:0)SM 34:0;O2ME288344--5.04705.589
SM(d34:1)SM 34:1;O2ME288345--4.79703.575
SM(d34:2)SM 34:2;O2ME288346--4.29701.5582
SM(d36:0)SM 36:0;O2ME288347--5.72733.6195
SM(d36:1)SM 36:1;O2ME288348--5.47731.6049
SM(d36:2)SM 36:2;O2ME288349--4.9729.5875
SM(d36:3)SM 36:3;O2ME288350--4.45727.5731
SM (d37:1)SM 37:1;O2ME288335--5.81745.6182
SM (d38:0)SM 38:0;O2ME288336--6.4761.6454
SM(d38:1)SM 38:1;O2ME288351--6.16759.6344
SM(d38:2)SM 38:2;O2ME288352--5.59757.6196
SM(d39:1)SM 39:1;O2ME288353--6.52773.6516
SM (d39:2)SM 39:2;O2ME288337--5.94771.6311
SM(d40:0)SM 40:0;O2ME288354--7.09789.6807
SM(d40:1)SM 40:1;O2ME288355--6.85787.6679
SM(d40:2) ASM 40:2;O2ME288356--6.16785.6522
SM(d40:2) BSM 40:2;O2ME288357--6.26785.6512
SM(d41:1)SM 41:1;O2ME288358--7.19801.6833
SM(d41:2) ASM 41:2;O2ME288359--6.49799.6669
SM(d41:2)BSM 18:2;O2/23:0ME288360--6.61799.6677
SM (d42:0)SM 42:0;O2ME288338--7.74817.7134
SM(d42:1)SM 42:1;O2ME288361--7.52815.6992
SM(d42:2)SM 42:2;O2ME288362--6.82813.6837
SM(d42:3)SM 42:3;O2ME288363--6.25811.6663
SM(d43:1)SM 43:1;O2ME288364--7.73829.7128
SM(d43:2)SM 43:2;O2ME288365--7.04827.6981
SM (d44:2)SM 44:2;O2ME288339--7.46841.7113
Sphingosine(d17:1) iSTD-ME288160--1.03286.275
TG(42:0)TG 42:0ME288367--9.56740.676
TG(42:1)TG 42:1ME288368--9.06743.6141
TG(42:2)TG 42:2ME288369--8.605741.6006
TG(44:0)TG 44:0ME288370--10.06773.6612
TG(44:1)TG 44:1ME288371--9.59771.6469
TG(44:2)TG 44:2ME288372--9.136666667785.6058
TG(46:0)TG 46:0ME288373--10.51796.7381
TG(46:1)TG 46:1ME288374--10.07666667815.6517
TG(46:2)TG 46:2ME288375--9.65813.6373
TG(46:3) ATG 46:3ME288376--9.186666667811.6187
TG(46:3) BTG 46:3ME288377--9.26795.6497
TG(46:4) ATG 46:4ME288378--8.715788.6748
TG(48:0)TG 48:0ME288379--10.95824.772
TG(48:1)TG 48:1ME288380--10.52333333827.7094
TG(48:2)TG 48:2ME288381--10.105825.6936
TG(48:3)TG 48:3ME288382--9.683333333839.6534
TG(48:4) ATG 48:4ME288383--9.25837.6361
TG(48:5)TG 48:5ME288384--8.82814.6867
TG(49:1)TG 49:1ME288385--10.73666667857.7047
TG(49:2)TG 49:2ME288386--10.34666667855.6843
TG(49:3)TG 49:3ME288387--9.93832.7355
TG(50:1)TG 50:1ME288388--10.94333333871.7167
TG(50:2)TG 50:2ME288389--10.54666667853.7262
TG(50:3) ATG 50:3ME288390--10.15666667851.7092
TG(50:4)TG 50:4ME288391--9.76865.6684
TG(50:5)TG 50:5ME288392--9.38847.6789
TG(51:1)TG 51:1ME288393--11.13864.8005
TG(51:2)TG 51:2ME288394--10.76883.717
TG(51:3)TG 51:3ME288395--10.38666667881.6977
TG(51:4)TG 51:4ME288396--9.993333333879.687
TG(52:1)TG 52:1ME288397--11.34899.7469
TG(52:2)TG 52:2ME288398--10.95666667897.7323
TG(52:3)TG 52:3ME288399--10.59666667895.7152
TG(52:4)TG 52:4ME288400--10.22877.7256
TG(52:5)TG 52:5ME288401--9.86870.7531
TG(52:6)TG 52:6ME288402--9.583333333873.6952
TG(53:1)TG 53:1ME288403--11.495892.8312
TG(53:2)TG 53:2ME288404--11.14666667911.7452
TG(53:3)TG 53:3ME288405--10.78666667893.7581
TG(53:4)TG 53:4ME288406--10.43666667891.7421
TG (53:5)TG 53:5ME288366--10.03889.7271
TG(54:1)TG 54:1ME288407--11.69666667927.7773
TG(54:2)TG 54:2ME288408--11.34666667925.7622
TG(54:3)TG 54:3ME288409--10.99923.7479
TG(54:4)TG 54:4ME288410--10.65333333905.7593
TG(54:5) ATG 54:5ME288411--10.25333333919.7154
TG(54:5) BTG 54:5ME288412--10.475919.7133
TG(54:6) ATG 54:6ME288413--9.87896.7692
TG(54:6) CTG 54:6ME288414--10.08333333917.7009
TG(54:7) ATG 54:7ME288415--9.5899.7122
TG(54:7) BTG 54:7ME288416--9.675899.7131
TG(54:8)TG 54:8ME288417--9.095897.6954
TG(55:1)TG 55:1ME288418--11.82920.8653
TG(55:2)TG 55:2ME288419--11.49918.8483
TG(55:3)TG 55:3ME288420--11.18916.833
TG(56:1)TG 56:1ME288421--11.905934.8788
TG(56:2)TG 56:2ME288422--11.69666667937.8287
TG(56:3)TG 56:3ME288423--11.355951.7745
TG(56:4)TG 56:4ME288424--11.03949.7536
TG(56:5) ATG 56:5ME288425--10.655947.7379
TG(56:5) BTG 56:5ME288426--10.76947.7451
TG(56:5) CTG 56:5ME288427--10.88931.7751
TG(56:6)TG 56:6ME288428--10.47945.7318
TG(56:7) ATG 56:7ME288429--10.09333333927.7416
TG(56:7) BTG 56:7ME288430--10.28927.7421
TG(56:8) ATG 56:8ME288431--9.72941.7003
TG(56:8) BTG 56:8ME288432--9.905941.6983
TG(56:9)TG 56:9ME288433--9.36918.7579
TG(57:1)TG 57:1ME288434--11.97948.8982
TG(57:2)TG 57:2ME288435--11.82946.8821
TG(58:0)TG 58:0ME288436--12.11964.9255
TG(58:1)TG 58:1ME288437--12.02962.9108
TG(58:10)TG 58:10ME288438--9.56944.7695
TG(58:2)TG 58:2ME288439--11.90333333965.8561
TG(58:3)TG 58:3ME288440--11.71979.811
TG(58:4)TG 58:4ME288441--11.38956.8654
TG(58:5)TG 58:5ME288442--11.03954.8492
TG(58:6)TG 58:6ME288443--10.825957.7975
TG(58:8)TG 58:8ME288444--10.28948.8005
TG(58:9)TG 58:9ME288445--9.93946.7841
TG(59:2)TG 59:2ME288446--11.96974.9127
TG(59:3)TG 59:3ME288447--11.82972.8958
TG(60:1)TG 60:1ME288448--12.1990.942
TG(60:2)TG 60:2ME288449--12.015988.9258
TG(60:3)TG 60:3ME288450--11.91986.9096
TG(60:4)TG 60:4ME288451--11.7984.8959
TG(62:1)TG 62:1ME288452--12.161018.9736
TG(62:2)TG 62:2ME288453--12.11016.9568
TG(62:3)TG 62:3ME288454--12.011014.9421
TG(62:4)TG 62:4ME288455--11.891012.9243
TG(64:2)TG 64:2ME288456--12.161044.9877
TG(64:3)TG 64:3ME288457--12.091042.9734
TG(64:4)TG 64:4ME288458--12.011040.9563
TG d5(17:0/17:1/17:0) iSTD-ME288161--11.13869.8309


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 (d18:1/17:0) iSTD-ME288459--6.19586.5004
Ceramide (d32:1)Cer 32:1;O2ME288469--5.123333333544.4507
Ceramide (d33:1)Cer 33:1;O2ME288470--5.475558.4669
Ceramide (d34:0)Cer 34:0;O2ME288471--6.06598.5411
Ceramide (d34:1)Cer 34:1;O2ME288472--5.84572.483
Ceramide (d34:2)Cer 34:2;O2ME288473--5.206666667534.4895
Ceramide (d36:1)Cer 36:1;O2ME288474--6.55600.5143
Ceramide (d38:1)Cer 38:1;O2ME288475--7.26652.59
Ceramide (d40:1)Cer 40:1;O2ME288476--7.94680.6219
Ceramide (d42:0)Cer 42:0;O2ME288477--8.78686.6234
Ceramide (d42:1)Cer 42:1;O2ME288478--8.57684.6093
Ceramide (d42:2) ACer 42:2;O2ME288479--7.81682.5933
Ceramide (d42:2) BCer 42:2;O2ME288480--7.92682.5938
Ceramide (d44:1)Cer 44:1;O2ME288481--9.16712.6389
CUDA iSTD-ME288460--0.59339.2699
FA (14:0) (myristic acid)Myristic acidME288482--1.6227.2063
FA (14:1) (physeteric acid)Physeteric acidME288483--1.16225.1908
FA (16:0)-d3 iSTD-ME288461--2.45258.2558
FA (16:1) (palmitoleic acid)Palmitoleic acidME288484--1.79253.2217
FA (18:1) (oleic acid)Oleic acidME288485--2.69281.2532
FA (18:2) (linoleic acid)Linoleic acidME288486--2.03279.2375
FA (20:1) (eicosenoic acid)Eicosenoic acidME288487--3.33309.2835
FA (20:2) (eicosadienoic acid)Eicosadienoic acidME288488--2.91307.268
FA (20:3) (eicosatrienoic acid)Eicosatrienoic acidME288489--2.48305.2515
FA (20:3) (homo-gamma-linolenic acid)Dihomo-gamma-linolenic acidME288490--2.33305.253
FA (20:4) (arachidonic acid)Arachidonic acidME288491--1.89303.2375
FA (20:5) (eicosapentaenoic acid)Eicosapentaenoic acidME288492--1.46301.2215
FA (22:1) (erucic acid)cis-Erucic acidME288493--3.89337.3137
FA (22:2) (docosadienoic acid)Docosadienoic acidME288494--3.46335.2983
FA (22:6) (docosahexaenoic acid)Docosahexaenoic acidME288495--1.68327.2374
FA (26:0) (cerotic acid)Cerotic acidME288496--6.06395.3915
GlcCer(d14:1(4E)/20:0(2OH))GlcCer 14:1;O2(4E)/20:0;OME288501--5.025714.5551
GlcCer (d40:1)GlcCer 40:1;O2ME288497--7.275818.6293
GlcCer (d41:1)GlcCer 41:1;O2ME288498--7.61832.644
GlcCer (d42:1)GlcCer 42:1;O2ME288499--7.93846.6606
GlcCer (d42:2)GlcCer 42:2;O2ME288500--7.25844.6464
LPC (14:0)LPC 14:0ME288502--1526.3182
LPC (16:0)LPC 16:0ME288503--1.54554.3508
LPC (16:1)LPC 16:1ME288504--1.12552.3339
LPC (17:0) iSTD-ME288462--1.91568.3665
LPC (18:0) ALPC 18:0ME288505--2.16582.3812
LPC (18:0) BLPC 18:0ME288506--2.35582.3817
LPC (18:1)LPC 18:1ME288507--1.69580.3658
LPC (18:2)LPC 18:2ME288508--1.27578.3515
LPC (20:1)LPC 20:1ME288509--2.5608.3949
LPC (20:2)LPC 20:2ME288510--1.89606.3806
LPC (20:3)LPC 20:3ME288511--1.47604.3656
LPC 20:4;LPC 20:4ME288513--1.23602.3501
LPC (22:5)LPC 22:5ME288512--1.34628.3651
LPE (16:0)LPE 16:0ME288514--1.56452.2818
LPE (17:1) iSTD-ME288463--1.38464.2829
LPE 18:0;LPE 18:0ME288518--2.4480.313
LPE (18:2)LPE 18:2ME288515--1.27476.2824
LPE (20:4)LPE 20:4ME288516--1.19500.2816
LPE (22:6)LPE 22:6ME288517--1.18524.2817
MAG (17:0/0:0/0:0) iSTD-ME288464--3.11403.3105
PC (12:0/13:0) iSTD-ME288465--3.61694.4681
PC (32:0)PC 32:0ME288519--5.68792.5779
PC 32:0e; PC 16:0e/16:0;PC O-16:0/16:0ME288564--6.11778.597
PC (32:1)PC 32:1ME288520--5.1790.562
PC 32:1e; PC 16:0e/16:1;PC O-16:0/16:1ME288565--5.47776.5814
PC (32:2)PC 32:2ME288521--4.6788.5461
PC (33:1)PC 33:1ME288522--5.44804.5771
PC (33:2)PC 33:2ME288523--4.93802.5615
PC (34:0)PC 34:0ME288524--6.36820.6113
PC 34:0e; PC 18:0e/16:0;PC O-18:0/16:0ME288566--6.8806.6287
PC (34:1)PC 34:1ME288525--5.75794.5513
PC (34:2)PC 34:2ME288526--5.23816.5785
PC (34:3)PC 34:3ME288527--4.78814.5618
PC (34:4)PC 34:4ME288528--4.52812.5458
PC (35:1)PC 35:1ME288529--6.09832.6081
PC (35:2)PC 35:2ME288530--5.59830.5923
PC (35:4)PC 35:4ME288531--4.84826.5612
PC (36:1)PC 36:1ME288532--6.445822.5809
PC 36:1e; PC 18:0e/18:1;PC O-18:0/18:1ME288567--6.86832.6456
PC (36:2)PC 36:2ME288533--5.94820.5641
PC (36:3) APC 36:3ME288534--5.44818.5494
PC (36:3) BPC 36:3ME288535--5.41842.5939
PC (36:4) APC 36:4ME288536--4.84840.5781
PC (36:4) BPC 36:4ME288537--5.145816.534
PC (36:5) APC 36:5ME288538--4.44838.5612
PC (36:5) BPC 36:5ME288539--4.74838.562
PC (37:4)PC 37:4ME288540--5.49854.5922
PC (38:2)PC 38:2ME288541--6.41872.64
PC 38:2e; PC 16:0e/22:2;PC O-16:0/22:2ME288568--7.03858.6653
PC (38:3)PC 38:3ME288542--6.09870.6251
PC (38:4) APC 38:4ME288543--5.81868.6097
PC 38:4e; PC 18:0e/20:4;PC O-18:0/20:4ME288569--6.21854.6289
PC (38:5) APC 38:5ME288544--5.18866.593
PC (38:5) BPC 38:5ME288545--5.38866.5924
PC (38:6)PC 38:6ME288546--4.99840.5335
PC (40:5) APC 40:5ME288547--5.83894.6233
PC (40:5) BPC 40:5ME288548--6.08894.6237
PC (40:6) BPC 40:6ME288549--5.63892.6085
PC (40:7)PC 40:7ME288550--5.04890.5917
PC (p-34:0) or PC (o-34:1)PC P-34:0 or PC O-34:1ME288551--6.17804.6139
PC (p-34:1) or PC (o-34:2) APC P-34:1 or PC O-34:2ME288552--5.64802.5975
PC (p-34:1) or PC (o-34:2) BPC P-34:1 or PC O-34:2ME288553--6.06802.5979
PC (p-34:2) or PC (o-34:3)PC P-34:2 or PC O-34:3ME288554--5.52800.5823
PC (p-36:1) or PC (o-36:2)PC P-36:1 or PC O-36:2ME288555--6.3830.629
PC (p-36:2) or PC (o-36:3)PC P-36:2 or PC O-36:3ME288556--5.67828.6119
PC (p-36:3) or PC (o-36:4)PC P-36:3 or PC O-36:4ME288557--5.53826.5983
PC (p-36:4) or PC (o-36:5)PC P-36:4 or PC O-36:5ME288558--5.42824.5822
PC (p-38:4) or PC (o-38:5) APC P-38:4 or PC O-38:5ME288559--5.57852.6134
PC (p-38:4) or PC (o-38:5) BPC P-38:4 or PC O-38:5ME288560--6.09852.613
PC (p-38:5) or PC (o-38:6)PC P-38:5 or PC O-38:6ME288561--5.29850.5961
PC (p-40:3) or PC (o-40:4)PC P-40:3 or PC O-40:4ME288562--6.69882.6608
PC (p-40:4) or PC (o-40:5)PC P-40:4 or PC O-40:5ME288563--6.05880.6422
PE (17:0/17:0) iSTD-ME288466--6.5718.5421
PE 32:2e; PE 16:1e/16:1;PE O-16:1/16:1ME288595--5.49672.499
PE (34:1)PE 34:1ME288570--5.89716.5251
PE 34:1e; PE 18:1e/16:0;PE O-18:1/16:0ME288596--6.79702.5449
PE (34:2)PE 34:2ME288571--5.36714.5096
PE 35:2e;PE O-35:2ME288597--6.5714.5449
PE (36:1)PE 36:1ME288572--5.75744.5564
PE (36:2)PE 36:2ME288573--6742.5413
PE (36:3)PE 36:3ME288574--5.44740.5251
PE 36:3e; PE 18:2e/18:1;PE O-18:2/18:1ME288598--6.22726.5463
PE (36:4)PE 36:4ME288575--5.28738.5095
PE 36:4e; PE 16:1e/20:3;PE O-16:1/20:3ME288599--5.78724.5303
PE 36:5; PE 16:0-20:5;PE 16:0_20:5ME288600--4.8736.4925
PE 36:6e; PE 16:1e/20:5;PE O-16:1/20:5ME288601--5.07720.4992
PE (38:2)PE 38:2ME288576--5.94770.5714
PE 38:2e; PE 16:1e/22:1;PE O-16:1/22:1ME288604--7.54756.5925
PE 38:2; PE 18:0-20:2;PE 18:0_20:2ME288602--6.75770.5718
PE 38:2; PE 18:1-20:1;PE 18:1_20:1ME288603--6.53770.5717
PE 38:3; PE 18:0-20:3;PE 18:0_20:3ME288605--6.39768.5558
PE 38:3; PE 18:1-20:2;PE 18:1_20:2ME288606--6.23768.5558
PE (38:4) APE 38:4ME288577--5.14766.5405
PE (38:4) BPE 38:4ME288578--5.93766.5419
PE 38:4e; PE 18:0e/20:4;PE O-18:0/20:4ME288607--6.37752.5608
PE 38:5e; PE 16:0e/22:5;PE O-16:0/22:5ME288610--5.72750.5442
PE 38:5e; PE 16:1e/22:4;PE O-16:1/22:4ME288611--6.05750.5458
PE 38:5; PE 18:0-20:5;PE 18:0_20:5ME288608--5.47764.525
PE 38:5; PE 18:1-20:4;PE 18:1_20:4ME288609--5.32764.5253
PE (38:6)PE 38:6ME288579--5.09762.5097
PE 38:7e; PE 18:2e/20:5;PE O-18:2/20:5ME288612--5.15746.514
PE 40:1; PE 22:0-18:1;PE 18:1_22:0ME288613--7.8800.6181
PE 40:2e; PE 18:1e/22:1;PE O-18:1/22:1ME288615--8.11784.6233
PE 40:2; PE 18:0-22:2;PE 18:0_22:2ME288614--7.24798.6026
PE 40:3e; PE 18:1e/22:2;PE O-18:1/22:2ME288617--7.6782.6076
PE 40:3; PE 18:1-22:2;PE 18:1_22:2ME288616--6.67796.5868
PE 40:4e; PE 18:2e/22:2;PE O-18:2/22:2ME288619--6.98780.5914
PE 40:4; PE 18:0-22:4;PE 18:0_22:4ME288618--6.41794.5716
PE 40:5e; PE 18:1e/22:4;PE O-18:1/22:4ME288621--6.73778.5779
PE 40:5; PE 18:0-22:5;PE 18:0_22:5ME288620--5.95792.5563
PE (40:6)PE 40:6ME288580--4.98790.5405
PE 40:6; PE 18:0-22:6;PE 18:0_22:6ME288622--5.75790.5408
PE 40:7e; PE 18:2e/22:5;PE O-18:2/22:5ME288623--5.6774.5458
PE 42:3e;PE O-42:3ME288624--8.09810.6384
PE (p-34:1) or PE (o-34:2)PE P-34:1 or PE O-34:2ME288581--6.23700.5302
PE (p-34:2) or PE (o-34:3)PE P-34:2 or PE O-34:3ME288582--5.71698.5148
PE (p-36:1) or PE (o-36:2)PE P-36:1 or PE O-36:2ME288583--6.91728.5615
PE (p-36:2) or PE (o-36:3)PE P-36:2 or PE O-36:3ME288584--6.4726.5464
PE (p-36:4) or PE (o-36:5)PE P-36:4 or PE O-36:5ME288585--5.57722.5155
PE (p-38:2) or PE (o-38:3)PE P-38:2 or PE O-38:3ME288586--6.94754.5771
PE (p-38:3) or PE (o-38:4)PE P-38:3 or PE O-38:4ME288587--6.48752.5613
PE (p-38:4) or PE (o-38:5)PE P-38:4 or PE O-38:5ME288588--6.25750.5469
PE (p-38:5) or PE (o-38:6)PE P-38:5 or PE O-38:6ME288589--5.61748.5309
PE (p-38:6) or PE (o-38:7)PE P-38:6 or PE O-38:7ME288590--5.37746.5148
PE (p-40:4) or PE (o-40:5)PE P-40:4 or PE O-40:5ME288591--6.93778.5783
PE (p-40:5) or PE (o-40:6)PE P-40:5 or PE O-40:6ME288592--6.26776.5615
PE (p-40:6) or PE (o-40:7)PE P-40:6 or PE O-40:7ME288593--6.01774.546
PE (p-40:7) or PE (o-40:8)PE P-40:7 or PE O-40:8ME288594--5.43772.53
PG (17:0/17:0) iSTD-ME288467--5.24749.5374
PG 32:0;PG 32:0ME288625--4.23721.5026
PG 32:1; PG 14:0-18:1;PG 14:0_18:1ME288626--3.85719.4869
PG 34:1; PG 16:0-18:1;PG 16:0_18:1ME288627--4.67747.5203
PG 34:2; PG 16:1-18:1;PG 16:1_18:1ME288628--3.92745.5028
PG 36:1; PG 18:0-18:1;PG 18:0_18:1ME288629--5.24775.5521
PG 36:2; PG 18:1-18:1;PG 18:1/18:1ME288630--4.35773.5355
PG 36:3; PG 18:1-18:2;PG 18:1_18:2ME288631--4.07771.518
PG 38:2; PG 18:1-20:1;PG 18:1_20:1ME288632--4.96801.5665
PG 38:3; PG 18:1-20:2;PG 18:1_20:2ME288633--4.55799.5498
PG 38:4; PG 18:1-20:3;PG 18:1_20:3ME288634--4.04797.5331
PG 38:6; PG 16:0-22:6;PG 16:0_22:6ME288635--3.81793.5026
PG 40:3; PG 18:1-22:2;PG 18:1_22:2ME288636--4.97827.5815
PG 40:7; PG 18:1-22:6;PG 18:1_22:6ME288637--3.86819.5189
PI 32:0; PI 16:0-16:0;PI 16:0/16:0ME288638--4.51809.5193
PI 32:1; PI 16:0-16:1;PI 16:0_16:1ME288639--4.09807.5039
PI 34:0; PI 16:0-18:0;PI 16:0_18:0ME288640--5.01837.5519
PI 34:1; PI 16:0-18:1;PI 16:0_18:1ME288641--4.58835.5359
PI 34:2; PI 16:1-18:1;PI 16:1_18:1ME288642--4.18833.5203
PI 36:0; PI 18:0-18:0;PI 18:0/18:0ME288643--5.62865.5814
PI 36:1; (PI 18:0-18:1) A;PI 36:1ME288644--5.14863.567
PI 36:1; (PI 18:0-18:1) B;PI 36:1ME288645--5.23863.5672
PI 36:2; PI 18:0-18:2;PI 18:0_18:2ME288646--4.74861.552
PI 36:2; PI 18:1-18:1;PI 18:1/18:1ME288647--4.59861.5518
PI 36:3; PI 18:1-18:2;PI 18:1_18:2ME288648--4.3859.5352
PI 36:4; PI 16:0-20:4;PI 16:0_20:4ME288649--4.13857.5203
PI 37:2; PI 18:0-19:2;PI 18:0_19:2ME288650--5.01875.5668
PI 38:1; PI 18:0-20:1;PI 18:0_20:1ME288651--5.65891.598
PI 38:2; PI 18:0-20:2;PI 18:0_20:2ME288652--5.3889.583
PI 38:3; PI 18:0-20:3;PI 18:0_20:3ME288653--5887.5674
PI 38:3; PI 18:1-20:2;PI 18:1_20:2ME288654--4.87887.5673
PI 38:4; PI 18:0-20:4;PI 18:0_20:4ME288655--4.64885.5525
PI 38:4; PI 18:1-20:3;PI 18:1_20:3ME288656--4.36885.5492
PI 38:5; PI (18:1-20:4) A;PI 18:1_20:4ME288657--4.18883.5356
PI 38:5; PI (18:1-20:4) B;PI 18:1_20:4ME288658--4.26883.5353
PI 40:1; PI 18:0-22:1;PI 18:0_22:1ME288659--6.26919.6284
PI 40:2; PI 18:0-22:2;PI 18:0_22:2ME288660--5.8917.614
PI 40:3; PI 18:1-22:2;PI 18:1_22:2ME288661--5.27915.5978
PI 40:4; PI 18:0-22:4;PI 18:0_22:4ME288662--5.02913.5822
PI 40:5; PI 18:0-22:5;PI 18:0_22:5ME288663--4.67911.5665
PI 40:6; PI 18:0-22:6;PI 18:0_22:6ME288664--4.51909.5506
PI 42:2; PI 18:0-24:2;PI 18:0_24:2ME288665--6.28945.6436
PS 34:1; PS 16:0-18:1;PS 16:0_18:1ME288666--4.66760.5145
PS 36:1; PS 18:0-18:1;PS 18:0_18:1ME288667--5.25788.5457
PS 36:2; PS 18:1-18:1;PS 18:1/18:1ME288668--4.73786.5294
PS 38:4; PS 18:0-20:4;PS 18:0_20:4ME288669--4.76810.5298
SM (d18:1/17:0) iSTD-ME288468--5.33775.5986
SM (d34:0)SM 34:0;O2ME288670--5.18763.5969
SM (d34:1)SM 34:1;O2ME288671--4.92761.5844
SM (d34:2)SM 34:2;O2ME288672--4.41735.5227
SM (d36:1)SM 36:1;O2ME288673--5.64789.6144
SM (d36:2)SM 36:2;O2ME288674--5.05787.5983
SM (d36:3)SM 36:3;O2ME288675--4.57785.5826
SM d38:1; SM d14:1/24:0;SM 14:1;O2/24:0ME288681--6.34817.6453
SM (d38:2)SM 38:2;O2ME288676--5.74815.6294
SM d40:1; SM d14:1/26:0;SM 14:1;O2/26:0ME288682--7.04821.6334
SM d40:2; SM d14:2/26:0;SM 14:2;O2/26:0ME288683--6.42843.6611
SM (d40:3)SM 40:3;O2ME288677--5.76841.6439
SM d41:1; SM d14:1/27:0;SM 14:1;O2/27:0ME288684--7.39859.6925
SM d41:2; SM d14:2/27:0;SM 14:2;O2/27:0ME288685--6.82857.677
SM d42:1; SM d14:1/28:0;SM 14:1;O2/28:0ME288686--7.72849.6627
SM (d42:2) BSM 42:2;O2ME288678--7.01871.6935
SM (d42:3)SM 42:3;O2ME288679--6.42869.6771
SM d43:1; SM d14:1/29:0;SM 14:1;O2/29:0ME288687--8.03887.7227
SM d43:2; SM d14:2/29:0;SM 14:2;O2/29:0ME288688--7.26885.7062
SM (d44:2)SM 44:2;O2ME288680--7.65899.7222


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