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Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-linolenoylglycerophosphocholine (18:3n3)*LPC 18:3ME155782--5527.9518.4
1-linoleoylglycerophosphocholine (18:2n6)LPC 18:2ME15578311988421C041005574520.4
1-methyladenine1-MethyladenineME15578578821C02216953150.1
1-methyl tryptophan1-MethyltryptophanME15578498112-3165219.2
1-palmitoylglycerophosphocholine (16:0)LPC 16:0ME15578686554-5671496.4
1-stearoylglycerophosphocholine (18:0)LPC 18:0ME155787497299-5844524.4
2-linoleoylglycerophosphocholine*LPC 18:2ME155788--5544520.4
3-(2-pyrrolidinyl)pyridine-ME155789--1154149.1
4-guanidinobutanoate4-Guanidinobutanoic acidME155790500C010351085146.1
5-methylthioadenosine (MTA)5'-MethylthioadenosineME155791439176C001702427298.1
adenineAdenineME155792190C001471003136.1
adenosineAdenosineME15579360961C002121650268.1
adenosine-2',3'-cyclic monophosphate2',3' cyclic AMPME1557952024C023531484330.2
adenosine 2'-monophosphate (2'-AMP)Adenosine 2'-phosphateME15579494136C009461625348.1
anatabineAnatabineME15579611388C101261473.2161.1
benzoyl-O-glucose-ME155797314421-3026302
chlorogenateChlorogenic acidME1557985315832-2630355.1
citrullineCitrullineME155799833C00327715176.1
cryptochlorogenic acidCryptochlorogenic acidME1558005315599-2702355.1
glutamine-leucineGln-LeuME155801--2180260.2
glutathione, oxidized (GSSG)Oxidized glutathioneME155802-C001271535307.3
guanosineGuanosineME1558036802C003871676284
guanosine-2',3'-cyclic monophosphate2',3' cyclic GMPME155804417655C061941620346
isocitrateIsocitric acidME1558051198C00311953210
isoleucineIsoleucineME155806791C004071614132.1
isoleucylalanineIle-AlaME155807--1686203.2
kynurenineKynurenineME155808-C003281902209.1
leucineLeucineME155809-C001231674132.2
leucylalanineLeu-AlaME155810259321-1760203.2
methionineMethionineME155811-C000731252150.1
N6-methyladenosineN6-MethyladenosineME155815102175-1985282.1
N-acetyl alliin*N-AcetylalliinME155812--1768.4220.1
N-acetylputrescineN-AcetylputrescineME155813122356C02714895131.1
N-delta-acetylornithine*N(5)-Acetyl-ornithineME1558149920500-836.2175.1
nicotinamide ribonucleotide (NMN)Nicotinamide ribotideME15581614180C00455886335.1
nicotinamide riboside*Nicotinamide ribosideME155817-C03150955255.1
nicotinate ribonucleoside*D-RibosylnicotinateME155818161233C058411105256
nicotineNicotineME15581989594C007451284.8163.2
pantothenatePantothenic acidME1558206613C008642218220.1
phenylalaninePhenylalanineME155821-C000792056166.1
phenylalanylargininePhe-ArgME15582210268029-1553322.2
pheophorbide APheophorbide aME155823-C180216053593.4
phytosphingosinePhytosphingosineME155824-C121445189318.4
piperidinePiperidineME1558258082C017461097.386.2
prolineProlineME155826-C00148796116.1
pseudouridinePseudouridineME155827-C020671180245
pyridoxalPyridoxalME1558281050C002501210168.1
pyroglutamine*PyroglutamineME155829134508-764129.2
raffinoseRaffinoseME155830439242C00492992521.9
riboflavin (Vitamin B2)RiboflavinME155831493570C002553111377.2
serylisoleucine*Ser-IleME155832--2021219.2
serylleucineSer-LeuME155833--2106219.2
spermidineSpermidineME1558341102C00315533146.2
thiamin (Vitamin B1)ThiamineME155835-C00378740265.1
threonineThreonineME155836-C00188713120.1
trans-urocanateUrocanic acidME155837736715C007851119139.1
trigonelline (N'-methylnicotinate)TrigonellineME1558385570C01004757138.1
tryptamineTryptamineME1558391150C003982323161.1
tryptophanTryptophanME155840-C000782445205.1
tyramineTyramineME1558415610C004831503138.1
tyrosineTyrosineME155842-C000821516182.1
valineValineME155843-C001831040118.1


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
13-HODE + 9-HODEHODEME155850--5270295.2
1-linoleoylglycerol (1-monolinolein)MG 18:2ME1558445283469-6226279.2
1-oleoylglycerophosphoglycerol*LPG 18:1ME155845--5586.8509.5
1-palmitoylglycerophosphateLPA 16:0ME1558466419701C040365752409.3
1-palmitoylglycerophosphoethanolamineLPE 16:0ME1558479547069-5940452.3
1-palmitoylglycerophosphoglycerol*LPG 16:0ME1558483300276-5549.7483.4
1-palmitoylglycerophosphoinositol*LPI 16:0ME155849--5573571.3
2-hydroxydecanoate2-Hydroxycapric acidME15585121488-4826187.2
2-hydroxypalmitate2-Hydroxypalmitic acidME15585292836-5508271.3
2-isopropylmalate2-Isopropylmalic acidME15585377C02504732175.2
2-myristoylglycerol (2-monomyristin)MG 14:0ME155854137938-5798227.3
3-butenylglucosinolateGluconapinME155855--1634372.2
5-oxoprolinePyroglutamic acidME1558567405C01879744128.2
9,10-epoxystearate9,10-Epoxystearic acidME15585715868-5386.6297.4
anthraniloyl-O-glucose-ME155858--2577298.1
azelate (nonanedioate)Azelaic acidME1558592266C082611322187.2
coumaroylquinate-ME155860-C104412395337.2
cytidineCytidineME1558616175C004751351242.1
histidineHistidineME155862-C00135757154.1
linoleate (18:2n6)Linoleic acidME1558635280450C015955533279.3
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME1558645280934C064275450277.3
malonate (propanedioate)Malonic acidME155865867C00383606103.2
phosphoethanolaminePhosphoethanolamineME155866-C00346644140.1
pyridoxate4-Pyridoxic acidME1558676723C008472210182.1
salidroside4-Hydroxyphenyl-2-ethylglucopyranosideME155868159278-2528.2299.2
sebacate (decanedioate)Sebacic acidME1558695192C082771778201.2
sucroseSucroseME1558705988C00089875341.2
undecanedioateUndecanedioic acidME15587115816-2376215.1
uridineUridineME1558726029C002991430243.1
valylleucineVal-LeuME155873352039-3301229.3


Analysis: GC POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3-dihydroxyacetoneDihydroxyacetoneME155874670C001841349306.1
1,6-anhydroglucoseGlucosanME15587511412545-1679.5204.1
1-myristoylglycerol (1-monomyristin)MG 14:0ME15587679050-2052343.2
1-palmitoylglycerol (1-monopalmitin)MG 16:0/0:0/0:0ME15587714900-2119.5371.3
1-stearoylglycerol (1-monostearin)MG 18:0/0:0/0:0ME15587824699D019472186.6399.4
2-aminoadipatealpha-Aminoadipic acidME155879469C009561686.5260.1
2-aminobutyrate2-Aminobutyric acidME155880-C022611215.7130
2-hydroxyglutarate2-Hydroxyglutaric acidME15588143C026301576247
2-linoleoylglycerol (2-monolinolein)MG 18:2ME1558825365676-2169408.3
2-palmitoylglycerol (2-monopalmitin)MG 0:0/16:0/0:0ME155883123409-2108129
2-stearoylglycerol (2-monostearin)MG 0:0/18:0/0:0ME15588479075-2178341.3
3-deoxyoctulosonate-ME1558854636210-1942373.2
5-aminovalerate5-Aminopentanoic acidME155886-C004311620.8174
alanineAlanineME1558875950C000411147.6115.9
allantoinAllantoinME155888204C023501809.8518.3
alpha-ketoglutarate2-Oxoglutaric acidME15588951C000261779419.1
alpha-tocopherolalpha-TocopherolME15589014985C024772305.4502.5
arabinoseArabinoseME15589166308C002161631.6217
arabitolArabitolME15589294154C004741687.5307.1
arginineArginineME155893232C000621608.5142
ascorbate (Vitamin C)Vitamin CME155894-C000721850.1332.1
asparagineAsparagineME1558956267C001521617.5188
aspartateAspartic acidME1558965960C000491529.7232
beta-alaninebeta-AlanineME155897239C000991451.8174
beta-hydroxypyruvateHydroxypyruvic acidME155898964C001681425.1221
beta-sitosterolSitosterolME155899222284C017532380.8357.4
caffeateCaffeic acidME155900689043C011971949.9396.2
campesterolCampesterolME155901173183C017892353343.4
citramalateCitramalic acidME1559021081C008151490.7247
citrateCitric acidME155903311C001581763.4273.1
cyano-alanineCyanoalanineME15590413538C025121402140.9
cycloartenolCycloartenolME15590592110C019022407365.4
dehydroascorbateDehydroascorbic acidME155906835C054221800245.1
diethanolamineDiethanolamineME155907-C067721457.1218
erythritolErythritolME155908-C005031517.5217
erythronate*Erythronic acidME1559092781043-1546.9292.1
ethanolamineEthanolamineME155910-C001891304174.1
fructoseFructoseME1559115984C000951758217
fructose-6-phosphateFructose 6-phosphateME155912-C053451994.9315.1
fucosterolIsofucosterolME1559135281328C088172380.1386.4
fumarateFumaric acidME155914-C001221382.1245
gamma-aminobutyrate (GABA)gamma-Aminobutyric acidME155915-C003341539.7304.1
gamma-tocopherolgamma-TocopherolME15591614986C024832264223.1
glucoseGlucoseME15591779025C000311866.8217.1
glucose-6-phosphate (G6P)Glucose 6-phosphateME155918-C006682042.7387.2
glutamateGlutamic acidME155919611C000251611.9246
glutamineGlutamineME1559205961C000641698.4227.1
glycerateGlyceric acidME155921752C002581360.7189
glycerolGlycerolME155922753C001161311205
glycerol 3-phosphate (G3P)sn-Glycero-3-phosphateME155923754C000931719.7357.1
glycineGlycineME155924-C000371166101.9
guanineGuanineME155925764C002421942.3352.1
inositol 1-phosphate (I1P)Inositol 3-phosphateME155926-C040062057.8318.1
lysineLysineME1559275962C000471836.7317.2
malateMalic acidME155928525C001491502233
mannitolMannitolME1559296251C003921839319.1
mannose-6-phosphateMannose 6-phosphateME155930-C002752035.9387.2
methylphosphateMethanolphosphateME15593113130-1221241
myo-inositolMyo-inositolME155932--1924.9217
N-acetylglucosamineN-AcetylglucosamineME15593324139-1903.3245
nicotianamine(R,S,S)-NicotianamineME1559349882882-2121.4186
nicotinamideNiacinamideME155935936-1493.7151
nicotinateNicotinic acidME155936938-1334.1180
ornithineOrnithineME1559376262-1763.8142
orotidineOrotidineME15593892751-1550.7245
phenethylaminePhenylethylamineME155939--1575174
phosphatePhosphoric acidME1559401061-1307.7298.9
phytolPhytolME1559415280435-1964.7143.1
phytonadione (Vitamin K1)Vitamin K1ME1559425284607-2425596.5
pipecolatePipecolic acidME155943849-1396.1156
putrescinePutrescineME155944--1705.8174
pyruvatePyruvic acidME155945107735-1130.6217
quinateQuinic acidME155946--1793345.1
ribitolRibitolME155947--1692.4217
riboseRiboseME1559485311110-1639.2204
ribuloseL-RibuloseME15594979021-1662306.1
serineSerineME155950--1389.1204
shikimateShikimic acidME1559518742-1758.1204
sorbitolSorbitolME155952107428-1843319.1
stigmasterolStigmasterolME1559535280794-2359255.3
succinateSuccinic acidME1559541110-1348247
threitolThreitolME155955169019-1513217.1
threonateThreonic acidME155956151152-1560.7292.1
trizma acetate2-Amino-2-methylol-propane-1,3-diolME155957--1525306.2
xylonateXylonic acidME1559586602431-1722292
xyloseXyloseME15595995259-1723.9204


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