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


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 dinucleotideNAD+ME288004--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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