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Analysis: GC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME2744975312435-5558-
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME2744985312513-5775-
12-HEPE12-HEPEME27446910041593-5236-
12-HETE12-HETEME274470--5295-
1,2-propanediol1,2-PropanediolME274495-C00717,C02912,C00583,C01506,C029171041-
13-HODE + 9-HODEHODEME274485--5247-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME274430-C073261788.7-
17-methylstearateXi-17-Methyloctadecanoic acidME2744823083779-5987-
1-arachidonoylglycerophosphocholineLPC 20:4/0:0ME274512-C052085554-
1-arachidonoylglycerophosphoethanolamineLPE 20:4ME274513--5731-
1-arachidonoylglycerophosphoinositolLPI 20:4ME274514--5479-
1-docosahexaenoylglycerophosphocholine-ME274515--5518-
1-linoleoylglycerophosphocholineLPC 18:2ME27451611988421C041005574-
1-linoleoylglycerophosphoethanolamineLPE 18:2ME274517--5725-
1-oleoylglycerophosphocholineLPC 18:1/0:0ME27451816081932-5700-
1-oleoylglycerophosphoethanolamineLPE 18:1ME2745199547071-5928-
1-oleoylglycerophosphoserineLPS 18:1/0:0ME2745209547099-5690-
1-palmitoleoylglycerophosphocholine-ME274521--5524-
1-palmitoylglycerophosphocholineLPC 16:0/0:0ME27452286554-5671-
1-palmitoylglycerophosphoethanolamineLPE 16:0ME2745239547069-5940-
1-palmitoylglycerophosphoinositolLPI 16:0ME274524--5573-
1-palmitoylplasmenylethanolamineLPE P-16:0 or LPE O-16:1ME274525--6153-
1-stearoylglycerol (1-monostearin)MG 18:0/0:0/0:0ME27454124699D019472186.6-
1-stearoylglycerophosphocholineLPC 18:0/0:0ME274526497299-5844-
1-stearoylglycerophosphoethanolamineLPE 18:0/0:0ME2745279547068-6200-
1-stearoylglycerophosphoinositolLPI 18:0/0:0ME274528--5800-
2,3-diphosphoglycerate2,3-Diphosphoglyceric acidME274431186004C011591970.7-
2-(4-hydroxyphenyl)propionate4-Hydroxyphenyl-2-propionic acidME274388102526C030801635-
2-aminoadipatealpha-Aminoadipic acidME274384469C009561686.5-
2-aminobutyrate2-Aminobutyric acidME274360-C022611215.7-
2-arachidonoylglycerophosphoethanolamineLPE 20:4ME274529--5525-
2-docosahexaenoylglycerophosphoethanolamineLPE 22:6ME274530--5512-
2-hydroxybutyrate (AHB)2-Hydroxybutyric acidME274363440864C059841169.4-
2-hydroxystearate2-Hydroxystearic acidME27448669417C030455705-
2-linoleoylglycerophosphocholineLPC 18:2ME274531--5544-
2-methylbutyroylcarnitineCAR 4:0;2MeME2744126426901-2439-
2-oleoylglycerophosphoethanolamineLPE 18:1ME274532--5848-
2-palmitoylglycerophosphocholineLPC 0:0/16:0ME274533--5604-
2-palmitoylglycerophosphoethanolamineLPE 16:0ME274534--5790-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME2743899378C036721395-
3-dehydrocarnitine*3-DehydrocarnitineME2744626991982C026361020-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME274496441C010891203.5-
3-indoxyl sulfateIndoxyl sulfateME27439810258-2258-
3-methyl-2-oxobutyrateKetoisovaleric acidME27441349C001411489-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME27441447C006712106-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME274390-C056292830-
3-phosphoglycerate3-Phosphoglyceric acidME274432-C005971756-
4-methyl-2-oxopentanoateKetoleucineME27441570C002332200-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME274396439176C001702427-
5-oxoprolinePyroglutamic acidME2743717405C018791446-
acetylcarnitineCAR 2:0ME2744637045767C025711203-
acetylphosphateAcetylphosphateME274453186C002271263-
adenosine 5'-diphosphate (ADP)ADPME2745476022C00008800-
adenosine 5'diphosphoriboseADP-riboseME2744424475880C00301964-
adenosine 5'-monophosphate (AMP)AMPME27454815938965C000201210-
adrenate (22:4n6)Adrenic acidME2744995282844C165275684-
alanineAlanineME274357-C000411147.6-
alanylalanineAla-AlaME274556-C009931379.5-
allantoinAllantoinME274550204C02350740-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME27441699823-1208-
alpha-muricholatealpha-Muricholic acidME2744563083761C176474763-
alpha-tocopherolalpha-TocopherolME27444614985C024772305.4-
arachidonate (20:4n6)Arachidonic acidME274500444899C002195525-
arginineArginineME274404-C000621608.5-
azelate (nonanedioate)Azelaic acidME2744842266C082611322-
benzoateBenzoic acidME274563243C001801291.5-
beta-alaninebeta-AlanineME274358-C000991451.8-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME27441769362-1043-
betaineBetaineME274376247-721-
butyrylcarnitineCAR 4:0ME274478213144-2007-
butyrylglycineN-ButyrylglycineME27447988412-2077-
campesterolCampesterolME274543173183C017892353-
caprate (10:0)Capric acidME2745352969C015715092-
caproate (6:0)Caproic acidME2745368892C015852766-
caprylate (8:0)Caprylic acidME274537379C064234367-
carnitineCarnitineME27446410917-702-
C-glycosyltryptophanC-GlycosyltryptophanME274399--1912-
chiro-inositol1D-chiro-InositolME274492--1857-
cholateCholic acidME274457-C006955148-
cholesterolCholesterolME2745446432564C001872316.9-
cholineCholineME274487170746-674-
cinnamoylglycineCinnamoylglycineME274570709625-3139-
cis-aconitatecis-Aconitic acidME274447643757C00417603-
citrateCitric acidME274448311C001581763.4-
citrullineCitrullineME274405833C00327715-
creatineCreatineME274361586C00300758-
creatinineCreatinineME274362588C00791730-
cysteineCysteineME274364-C000971560.1-
cysteine-glutathione disulfideS-Glutathionyl-cysteineME2743724247235-821-
deoxycarnitine3-DehydroxycarnitineME274465725C01181759-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME2745016439848C165255722-
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME2744715312529C032425600-
dihydroxyacetone phosphate (DHAP)Dihydroxyacetone phosphateME2744334643300C001111737-
dimethylglycineDimethylglycineME274377-C010261030-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME274472445580C064295518-
docosapentaenoate (n3 DPA; 22:5n3)DPAME274473-C165135574-
EDTAEdetic acidME274569-C00284611-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME274474446284C064285442-
eicosenoate (20:1n9 or 11)cis-Gondoic acidME274502--5955-
ergothioneineErgothioneineME2745713032311C05570847-
erythritolErythritolME274574-C005031517.5-
erythronateErythronic acidME2744262781043-1546.9-
ethanolamineEthanolamineME274488-C001891304-
fructoseFructoseME2744285984C000951758-
fumarateFumaric acidME274449-C001221382.1-
gamma-glutamylisoleucinegamma-GlutamylisoleucineME274557--2644-
gamma-glutamylleucinegamma-GlutamylleucineME274558151023-2744-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME274559111299-2846-
gamma-glutamylthreoninegamma-GlutamylthreonineME274560--977-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME27456194340-2073-
gamma-glutamylvalinegamma-GlutamylvalineME274562--2040-
glucoseGlucoseME27443479025C002931866.8-
glutamateGlutamic acidME274369611C00025700-
glutamineGlutamineME274370-C00064684-
glutathione, oxidized (GSSG)Oxidized glutathioneME274373-C001271535-
glutathione, reduced (GSH)GlutathioneME274374124886C000511274-
glycerateGlyceric acidME274435752C002581360.7-
glycerol 2-phosphatesn-Glycero-2-phosphateME2745652526C02979,D014881691.8-
glycerol 3-phosphate (G3P)sn-Glycero-3-phosphateME274489754C000931719.7-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME274490657272C00670694-
glycineGlycineME274378-C000371166-
glycolate (hydroxyacetate)Glycolic acidME274566-C001601119-
guanosine 5'- monophosphate (5'-GMP)GMPME274549761-1300-
hemeHemeME274441--4985-
heptanoate (7:0)Heptylic acidME2745388094C177143695-
hexanoylcarnitineCAR 6:0ME2744666426853C015853174-
hexanoylglycineHexanoylglycineME27447799463-3614-
hippurateHippuric acidME274564464C015862136-
histidineHistidineME274383-C00135757-
homocitrullineHomocitrullineME274406-C02427832-
homocysteineHomocysteineME274365778C001551648.2-
homostachydrine(S)-HomostachydrineME274572441447C082831199-
hydroxyisovaleroyl carnitineCAR 4:0;OH,MeME274418--1683-
iminodiacetate (IDA)IminodiacetateME2745678897-1538.8-
inosine 5'-monophosphate (IMP)IMPME2745467140378C001301310-
Isobar: 2-propylpentanoic acid, 2-ethylhexanoic ac...Valproic acidME274568--3909-
Isobar: fructose 1,6-diphosphate, glucose 1,6-diph...DHAME274436--572-
isobutyrylcarnitineCAR 3:0;2MeME274419--1941-
isoleucineIsoleucineME274420791C004071614-
isovalerylcarnitineCAR 4:0;3MeME2744216426851-2533-
isovalerylglycineIsovalerylglycineME274422546304-2665-
kynurenineKynurenineME274400-C003281902-
lactateLactic acidME274437612C001861102.8-
laurate (12:0)Lauric acidME2745393893C026795288-
leucineLeucineME274423-C001231674-
linoleate (18:2n6)Linoleic acidME2744755280450C015955533-
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME274476-C064275450-
lysineLysineME2743855962C000471836.7-
malateMalic acidME274450525C001491502-
malonylcarnitineCAR DC3:0ME274481--980-
mannoseMannoseME274429161658C001591753.5-
margarate (17:0)Margaric acidME27450310465-5733-
methionineMethionineME274366-C000731252-
methyl palmitate (15 or 2)-ME274483--5698-
methylphosphateMethanolphosphateME27454513130-1221-
myo-inositolMyo-inositolME274493-C001371924.9-
myristate (14:0)Myristic acidME27450411005C064245439-
myristoleate (14:1n5)Myristoleic acidME2745055281119C083225338-
N-6-trimethyllysineN-6-TrimethyllysineME274386159659-650-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME27435976406C010731460-
N-acetylglycineN-AcetylglycineME27437910972-1396.4-
N-acetylleucineN-AcetylleucineME27442470912C027103444-
N-acetylmethionineN-AcetylmethionineME274367448580C027121805-
N-acetylneuraminateN-Acetylneuraminic acidME274427-C002702074.9-
N-acetylornithineN-AcetylornithineME274407-C00437875-
N-acetylphenylalanineN-AcetylphenylalanineME27439174839C035193563-
N-acetyltryptophanN-Acetyl-tryptophanME274401700653C031372650-
nicotinamideNiacinamideME274443936C001531267-
nonadecanoate (19:0)Nonadecylic acidME27450612591C165356073-
octanoylcarnitineCAR 8:0ME274467123701-4100-
oleate (18:1n9)Oleic acidME274507445639C007125660-
oleoylcarnitineCAR 18:1ME274468--5202-
ophthalmateOphthalmic acidME2743759817431-1457-
ornithineOrnithineME2744086262C000771763.8-
orotateOrotic acidME274552967C002951709.6-
palmitate (16:0)Palmitic acidME274508985C002495619-
palmitoleate (16:1n7)Palmitoleic acidME274509445638C083625477-
palmitoyl sphingomyelinSM 18:1;O2/16:0ME2745429939941-2524-
pantothenatePantothenic acidME2744456613C008642218-
pelargonate (9:0)Pelargonic acidME2745405461016C016014847-
phenol sulfatePhenyl hydrogen sulfateME27439274426C021802199-
phenylacetylglycinePhenylacetylglycineME27439368144C055982377-
phenylalaninePhenylalanineME274394-C000792056-
phosphatePhosphoric acidME2744541061C000091307.7-
phosphoenolpyruvate (PEP)Phosphoenolpyruvic acidME2744381005C000741595.4-
phosphoethanolaminePhosphoethanolamineME274491-C003461577.3-
pinitolPinitolME274494-C038441773-
pipecolatePipecolic acidME274387849C004081120-
prolineProlineME274409-C00148796-
propionylcarnitineCAR 3:0ME274480107738C030171589-
pseudouridinePseudouridineME274553-C020671104-
pyrophosphate (PPi)PyrophosphateME274455644102C000131642.3-
pyruvatePyruvic acidME274439107735C000221130.6-
sarcosine (N-Methylglycine)SarcosineME274380-C002131182.9-
serineSerineME274381-C000651389.1-
serotonin (5HT)SerotoninME2744025202C007801660-
spermidineSpermidineME2743971102C00315533-
stachydrineStachydrineME274573115244C10172860-
stearate (18:0)Stearic acidME2745105281C015305886-
stearidonate (18:4n3)Stearidonic acidME2745115312508C163005381-
succinateSuccinic acidME2744511110C00042618-
succinylcarnitineCAR DC4:0ME274452--1401-
taurineTaurineME274368-C002451616.4-
tauro-beta-muricholateTauro-beta-muricholic acidME274458168408-4763-
taurocholateTaurocholic acidME274459-C051225122-
taurodeoxycholateTaurodeoxycholic acidME2744602733768C054635243-
tauroursodeoxycholateTauroursodeoxycholic acidME274461--5002.6-
threonateThreonic acidME274440151152C016201560.7-
threonineThreonineME274382-C00188713-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME274410-C011571537-
trigonelline (N'-methylnicotinate)TrigonellineME2744445570-757-
tryptophanTryptophanME274403-C000782445-
tyrosineTyrosineME274395-C000821516-
uracilUracilME2745541174C001061370.4-
urateUric acidME274551-C003661928-
ureaUreaME274411-C000861223.9-
uridineUridineME2745556029C002991467-
valineValineME274425-C001831040-


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