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Analysis: GC/MS

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2-propanediol1,2-PropanediolME2250111030C005831041117
1,3-dihydroxyacetoneDihydroxyacetoneME225012670C001841263103
1-kestose1-KestoseME225009440080C036612376.9361.1
1-palmitoylglycerol (1-monopalmitin)MG 16:0/0:0/0:0ME22501014900-2119.5371.3
2,3-butanediol2,3-ButanediolME225017262C030441075116.9
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME225018677C040391422131
2-aminobutyrate2-Aminobutyric acidME225013439691C022611215.7130
2-hydroxybutyrate (AHB)2-Hydroxybutyric acidME225014440864C059841169.4131
2-hydroxyglutarate2-Hydroxyglutaric acidME22501543C026301576247
2-pyrrolidinone2-PyrrolidinoneME22501612025-1190.9142
3-deoxyglucosone3-DeoxyglucosoneME225019159630-1579.3129
3-deoxyoctulosonate-ME2250204636210-1942373.2
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME225021441C010891203.5116.9
3-hydroxypropanoateHydroxypropionic acidME22502268152C010131187.1177.1
3-hydroxypyridine3-HydroxypyridineME2250237971-1187.1152
4-hydroxybutyrate (GHB)4-Hydroxybutyric acidME22502510413C009891277233.1
4-hydroxy catechol-ME22502410787C028141599342.2
acetoacetateAcetoacetic acidME22502696C001641285231.1
acetylphosphateAcetylphosphateME225027186C002271263211
alanineAlanineME2250285950C000411147.6115.9
alpha-tocopherolalpha-TocopherolME22502914985C024772305.4502.5
arabinoseArabinoseME22503066308C002161631.6217
arabitolArabitolME22503194154C019041687.5307.1
arabonateArabinonic acidME225032122045C008781736292.1
ascorbate (Vitamin C)Vitamin CME225033-C000721850.1332.1
asparagineAsparagineME2250346267C001521651.2231
beta-alaninebeta-AlanineME225035239C000991451.8174
beta-hydroxypyruvateHydroxypyruvic acidME225036964C001681425.1221
beta-sitosterolSitosterolME225037222284C017532380.8357.4
campesterolCampesterolME225038173183C017892353343.4
citramalateCitramalic acidME2250391081C008151490.7247
cyano-alanineCyanoalanineME22504013538C025121402140.9
digalacturonic acidDigalacturonic acidME2250416857565C022732220.9375.2
erythritolErythritolME225042222285C005031517.5217
erythronate*Erythronic acidME2250432781043-1546.9292.1
erythronic gamma-lactoneErythrono-1,4-lactoneME2250445325915-1450247.1
erythroseErythroseME22504594176C017961431.1217.1
erythruloseErythruloseME2250465460032C020451496205.1
ethanolamineEthanolamineME225047700C001891304174.1
ethyl linoleate-ME2250485282184D015901963262.29
fructoseFructoseME2250495984C000951831305.1
fructose 1-phosphateFructose 1-phosphateME22505065246C010941983.1445.2
fructose-6-phosphateFructose 6-phosphateME22505169507C053451994.9315.1
fucoseFucoseME22505219466C010181682.2204
fumarateFumaric acidME225053-C001221382.1245
galactinolGalactinolME225054439451C012352226.1433.3
gamma-tocopherolgamma-TocopherolME22505514986C024832264223.1
gluconateGluconic acidME22505610690C002571879.4333
glucono-1,5-lactoneGluconolactoneME2250577027C001981838275.1
glucosaminateGlucosaminic acidME22505873563C037521900291.1
glucosamineGlucosamineME225059441477C003291851203
glucoseGlucoseME22506079025C000311780.9217
glucose-6-phosphate (G6P)Glucose 6-phosphateME2250615958C006682042.7387.2
glycerateGlyceric acidME225062752C002581360.7189
glycerolGlycerolME225063753C001161311205
glycineGlycineME225064750C000371166101.9
glycolate (hydroxyacetate)Glycolic acidME225065757C001601119177
homoserineHomoserineME22506612647C002631471218.1
inositol 1-phosphate (I1P)Inositol 3-phosphateME225067440194C040062057.8318.1
inositol 2-phosphate (I2P)MaltuloseME225068-C011772072.9318.1
isomaltoseIsomaltoseME225069439193C002522221.8204.1
lactateLactic acidME225070612C001861102.8116.9
lyxoseLyxoseME225071-C004761603.5204.1
malateMalic acidME225072525C001491502233
maltuloseMaltuloseME22507344630390C196332157361.19
mannitolMannitolME2250746251C003921839319.1
melezitoseMelezitoseME22507592817C082432403361.1
methylphosphateMethanolphosphateME22507613130-1221240.9
myo-inositolMyo-inositolME225077892C001371924.9217
palatinitol1,2,3-ButanetriolME2250783034828-2233204
phosphatePhosphoric acidME2250791061C000091307.7298.9
putrescinePutrescineME2250801045C001341705.8174
pyromucic acid2-Furoic acidME2250816919C015461181.2125
pyruvatePyruvic acidME2250821060C000221130.6217
ribitolRibitolME2250836912C004741692.4217
ribonateRibonic acidME2250845460677-1663.1246.1
riboseRiboseME2250855779C001211639.2204
ribuloseL-RibuloseME225086151261C003091662306.1
serineSerineME2250885951C000651389.1204
sinapyl alcoholSinapyl alcoholME2250895280507C023251923354.1
S-methylcysteineMethylcysteineME22508724417-1447.8162.1
sorbitolSorbitolME225090107428C007941843319.1
succinateSuccinic acidME2250911110C000421348247
sucroseSucroseME2250925988C000892136.1361.1
threitolThreitolME225093169019C168841513217.1
threonateThreonic acidME225094151152C016201560.7292.1
thymineThymineME2250951135C001781429.1255
trihydroxybutane1,2,3-ButanetriolME22509620497-1329.5117
trizma acetate2-Amino-2-methylol-propane-1,3-diolME2250976503C071821525306.2
xylitolXylitolME2250986912C003791677.6307.2
xylonateXylonic acidME2250996602431C054111722292
xyloseXyloseME225100135191C001811723.9204
xyluloseXyluloseME2251015289590C003101668306.1


Analysis: UPLC/MS/MS POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-amino-1-cyclopentanecarboxylic acid1-Azaniumylcyclopentane-1-carboxylateME2251022901C039691270130.08626
1-linolenoylglycerophosphocholine (18:3n3)*LPC 18:3ME225103--5527.9518.32412
1-linoleoylglycerophosphocholine (18:2n6)LPC 18:2ME22510411988421C041005574520.33977
1-margaroylglycerophosphocholine (17:0)LPC 17:0ME22510524779463C042305750510.35542
1-methyladenine1-MethyladenineME22510678821C02216953150.07743
1-myristoylglycerophosphocholine (14:0)LPC 14:0ME225107460604C042305481468.30847
1-nonadecanoylglycerophosphocholine(19:0)*LPC 19:0ME225108--5917.4538.38672
1-oleoylglycerophosphocholine (18:1)LPC 18:1ME22510916081932-5700522.35542
1-palmitoylglycerophosphocholine (16:0)LPC 16:0ME22511086554-5671496.33977
1-pentadecanoylglycerophosphocholine (15:0)*LPC 15:0ME225111--5563482.32412
1-stearoylglycerophosphocholine (18:0)LPC 18:0ME225112497299-5844524.37107
2-aminoadipatealpha-Aminoadipic acidME225113469C00956794162.07609
2'-deoxyadenosineDeoxyadenosineME22512113730C005591632252.10912
2-linoleoylglycerophosphocholine*LPC 18:2ME225114--5544520.33977
2-linoleoylglycerophosphoethanolamine*LPE 18:2ME225115--5541478.29282
2-oleoylglycerophosphocholine*LPC 18:1ME225116--5640522.35542
2-oleoylglycerophosphoethanolamine*LPE 18:1ME225117--5625480.30847
2'-O-methyladenosine2'-O-MethyladenosineME225122102213-1876282.11968
2-palmitoylglycerophosphocholine*LPC 0:0/16:0ME22511815061532-5604496.33977
2-piperidinone2-PiperidinoneME22511912665-2034100.0757
2-stearoylglycerophosphocholine*LPC 18:0ME22512010208382-5780524.37107
3,4,5-trimethoxycinnamate3,4,5-Trimethoxycinnamic acidME225126735755-4116239.0914
3,4-dimethoxycinnamic acid3-(3,4-Dimethoxyphenyl)-2-propenoic acidME225125717531-3981209.08084
3-hydroxykynurenineHydroxykynurenineME22512389C027941453225.08699
3-methoxytyrosine3-MethoxytyrosineME2251241670-1765212.09174
4-acetamidobutanoate4-Acetamidobutanoic acidME22512718189C029461724146.08117
4-guanidinobutanoate4-Guanidinobutanoic acidME225128500C010351085146.09241
5-aminovalerate5-Aminopentanoic acidME225129138C00431860118.08626
5-hydroxymethylfurfural5-Hydroxymethyl-2-furancarboxaldehydeME225130237332C111011992127.03897
5-methylthioadenosine (MTA)5'-MethylthioadenosineME225131439176C001702427298.09684
7-methylguanine7-MethylguanineME22513211361C022421353166.07234
7-methylguanosine7-MethylguanosineME225133--1451298.1146
acetylcholineAcetylcholineME225134--866146.11756
adenineAdenineME225135190C001471003136.06178
adenosineAdenosineME22513660961C002121650268.10403
adenosine-2',3'-cyclic monophosphate2',3' cyclic AMPME2251392024C023531484330.0598
adenosine 2'-monophosphate (2'-AMP)Adenosine 2'-phosphateME22513794136C009461625348.07036
adenosine 5'-monophosphate (AMP)AMPME2251386083C000201210348.07037
alanylisoleucineAla-IleME225140417358-2011203.13902
alanylleucineAla-LeuME225141259583-2150203.13902
alanylphenylalanineAla-PheME2251422080-2422237.12337
alanyltryptophanAla-TrpME2251431550278-2630276.13427
apigenin-7-o-glucosideApigenin-7-O-glucosideME2251445280704C046083841433.11293
arginineArginineME225145232C00062650175.11896
asparagylisoleucine-ME225146--2070246.14484
asparagylleucineAsn-LeuME225147--2170246.14484
asparagylvalineAsn-ValME225148--1517.3232.12919
aspartateAspartic acidME2251495960C00049675134.04479
beta-hydroxyisovaleroylcarnitineCAR 4:0;OH,MeME225150--1683262.1649
betaineBetaineME225151247C00719721118.08626
cholineCholineME225152305C00114674104.10699
choline phosphateCholine phosphateME2251531014C00588695184.07332
citrullineCitrullineME2251549750C00327715176.10297
coniferyl aldehydeConiferyl aldehydeME2251555280536C026663587179.07027
cytidineCytidineME2251566175C004751065244.0928
dimethylarginine (SDMA + ADMA)DimethylarginineME225157123831C03626812203.15026
epicatechinEpicatechinME22515872276C097272860291.08632
gamma-aminobutyrate (GABA)gamma-Aminobutyric acidME225159119C00334682104.07061
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME225160--1589233.1132
gamma-glutamylalaninegamma-GlutamylalanineME225161440103-1108219.09755
gamma-glutamylglutaminegamma-GlutamylglutamineME225162150914C05283806276.11902
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME22516314253342-2644261.1445
gamma-glutamylleucinegamma-GlutamylleucineME225164151023-2744261.1445
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME225165111299-2846295.12885
gamma-glutamyltryptophangamma-GlutamyltryptophanME2251663989307-3033334.13975
gamma-glutamyltyrosinegamma-GlutamyltyrosineME22516794340-2073311.12377
gamma-glutamylvalinegamma-GlutamylvalineME2251687015683-2040247.12885
glutamateGlutamic acidME225169611C00025700148.06044
glutamineGlutamineME2251705961C00064684147.07642
glutamine-isoleucineGln-IleME225171--2070.6260.16049
glutamine-leucineGln-LeuME225172--2180260.16049
glutathione, oxidized (GSSG)Oxidized glutathioneME22517365359C001271535307.08326
glutathione, reduced (GSH)GlutathioneME225174124886C000511274308.09109
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME22517571920C00670694258.1101
glycylleucineGly-LeuME22517692843C021552236189.12337
glycylphenylalanineGly-PheME22517792953-2377223.10772
glycylprolineGly-ProME2251783013625-1115173.09207
glycylvalineGly-ValME22517997417-1572175.10772
guanineGuanineME225180764C002421022152.05669
guanosineGuanosineME2251816802C003871676284.09895
guanosine-2',3'-cyclic monophosphate2',3' cyclic GMPME22518292823C061941620346.05472
histidylisoleucineHis-IleME2251834060215-1414.9269.16082
histidylleucineHis-LeuME225184189008-1482269.16082
histidylphenylalanineHis-PheME2251854466133-1730303.14517
histidylvalineHis-ValME225186--849255.14517
Isobar: sorbitol, mannitolSorbitolME2251875780C01507709183.08632
isoferulateIsoferulic acidME225188736186C104703576195.06519
isoleucineIsoleucineME2251896306C004071614132.10191
isoleucylalanineIle-AlaME2251905246009-1686203.13902
isoleucylasparagineIle-AsnME2251914414300-1340246.14484
isoleucylaspartateIle-AspME225192--1552247.12885
isoleucylglutamateIle-GluME225193--1650261.1445
isoleucylglutamineIle-GlnME225194--1530260.16049
isoleucylglycineIle-GlyME225195342532-1732189.12337
isoleucylisoleucineIle-IleME225196--2678245.18597
isoleucylleucineIle-LeuME22519711644431-2856245.18597
isoleucylphenylalanineIle-PheME225198435728-3155279.17032
isoleucylserineIle-SerME225199--1472.5219.13394
isoleucylthreonineIle-ThrME225200--1555.1233.14959
isoleucyltyrosineIle-TyrME225201342468-2300295.16524
isoleucylvalineIle-ValME2252025246011-2202231.17032
isopentenyl adenosineN6-IsopentenyladenosineME225203266767C164273985336.16663
isovitexinIsovitexinME225204162350C017143551433.11293
kynurenateKynurenic acidME2252053845C017172825190.04987
kynurenineKynurenineME225206161166C003281902209.09207
leucineLeucineME2252086106C001231674132.10191
leucylalanineLeu-AlaME225209259321-1760203.13902
leucylasparagineLeu-AsnME2252104128305-1418246.14484
leucylglutamateLeu-GluME2252115259589-1716261.1445
leucylglycineLeu-GlyME22521279070-1800189.12337
leucylleucineLeu-LeuME22521376807C113323012245.18597
leucylmethionineLeu-MetME225214118276-2504263.14239
leucylphenylalanineLeu-PheME225215259325-3308279.17032
leucylprolineLeu-ProME22521680817-2395229.15467
leucylserineLeu-SerME2252173621685-1519.7219.13394
leucylthreonineLeu-ThrME225218--1621.9233.14959
leucyltryptophanLeu-TrpME225219329275-3216318.18122
leucyltyrosineLeu-TyrME225220273262-2413295.16524
leu-leu-leuLeu-Leu-LeuME225207259327-3795358.27004
loganateLoganic acidME22522189640C015122641.7394.17078
luteolin-7-O-glucosideLuteolin-7-O-glucosideME2252225280637C039513590449.10784
lysineLysineME2252235962C00047603147.11281
mevalonolactoneMevalonolactoneME22522410428-1784131.07027
N1-methyladenosine1-MethyladenosineME22524327476C024941356282.11969
N1-methylguanosine1-MethylguanosineME22524496373-1850298.1146
N2-methylguanosine2-MethylguanosineME2252453035422-1950298.1146
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME22524692919-2157312.13025
N6-acetyllysineN6-AcetyllysineME22524792832C027271134189.12337
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME225248--2656413.14154
N6-methyladenosineN6-MethyladenosineME225249102175-1985282.11969
N6,N6-dimethyladenosineN(6),N(6)-DimethyladenosineME225250348206-2525296.13533
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME225225--1019212.10297
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME225226--935212.10297
N-acetylalanineN-AcetylalanineME22522788064C028471603132.06552
N-acetylarginineN-AcetylarginineME22522867427C025621087217.12952
N-acetylasparagineN-AcetylasparagineME22522999715-974175.07134
N-acetylglutamateN-Acetylglutamic acidME22523070914C006241492190.071
N-acetylglutamineN-AcetylglutamineME225231182230C027161204189.08699
N-acetylhistidineN-AcetylhistidineME22523275619C02997843198.08732
N-acetylisoleucineN-AcetylisoleucineME2252332802421-3370174.11247
N-acetylleucineN-AcetylleucineME22523470912C027103444174.11247
N-acetylprolineN-Acetyl-prolineME225235322640-2184158.08117
N-acetylputrescineN-AcetylputrescineME225236122356C02714895131.11789
N-acetylserineN-AcetylserineME22523765249-1012148.06044
N-acetylserotoninN-AcetylserotoninME225238903C009782619219.11281
N-acetyltryptophanN-Acetyl-tryptophanME225239700653C031373553247.10772
N-acetylvalineN-AcetylvalineME22524066789-2654160.09682
naringeninNaringeninME225251932C005094373273.07575
naringenin-7-O-glucosideNaringenin-7-O-glucosideME22525292794C090993665435.12858
N-carbamoylaspartateN-Carbamoylaspartic acidME22524193072C00438951177.0506
nicotinamideNiacinamideME225253936C001531267123.05529
nicotinamide adenine dinucleotide (NAD+)NAD+ME2252545893C000031370664.1164
nicotinamide ribonucleotide (NMN)Nicotinamide ribotideME22525514180C00455886335.06388
nicotinamide riboside*Nicotinamide ribosideME225256439924C03150955255.09755
nicotinateNicotinic acidME225257938C002531241124.03931
nicotinate ribonucleoside*D-RibosylnicotinateME225258161234C058411105256.08157
N-methyl prolineN-Methyl-prolineME225242557-833130.08626
norophthalmate*Norophthalmic acidME2252595489007-989276.11902
ophthalmateOphthalmic acidME2252607018721-1457290.13467
pantothenatePantothenic acidME2252616613C008642218220.11795
phenethylamine (isobar with 1-phenylethanamine)PhenylethylamineME2252627408C024552114.7122.0964
phenylalaninePhenylalanineME2252636140C000792056166.08626
phenylalanylalaninePhe-AlaME2252646993123-2047.6237.12337
phenylalanylargininePhe-ArgME22526510268029-1553322.18737
phenylalanylaspartatePhe-AspME225266335051-1901281.1132
phenylalanylglutamatePhe-GluME2252674422358-2005295.12885
phenylalanylglycinePhe-GlyME22526898207-2120.1223.10772
phenylalanylhistidinePhe-HisME225269--1475.9303.14517
phenylalanylisoleucinePhe-IleME225270--3050279.17032
phenylalanylleucinePhe-LeuME2252714078229-3252279.17032
phenylalanylphenylalaninePhe-PheME2252726993090-3317313.15467
phenylalanylserinePhe-SerME2252739859812-1808253.11829
phenylalanylvalinePhe-ValME2252744096934-2570265.15467
pheophorbide APheophorbide aME2252755323510C180216053593.27585
phytosphingosinePhytosphingosineME225276122121C121445189318.30027
pipecolatePipecolic acidME225277849C004081120130.08626
procyanidin B1Procyanidin B1ME225278146798C102382163579.14971
procyanidin B2Procyanidin B2ME225279122738C176392525579.14971
prolineProlineME225280145742C00148796116.07061
pyridoxalPyridoxalME2252811050C002501210168.06552
pyridoxine (Vitamin B6)PyridoxineME2252821054C003141386170.08117
pyroglutamine*PyroglutamineME225283134508-764129.06586
quercetin-3-o-glucosideQuercetin 3-glucosideME2252845280804C056233649465.10276
riboflavin (Vitamin B2)RiboflavinME225285493570C002553111377.14557
rutinRutinME2252865280805C056253630611.16067
serotonin (5HT)SerotoninME2252885202C007801660177.10224
serylisoleucine*Ser-IleME225289--2021219.13394
serylleucineSer-LeuME225290--2106219.13394
serylphenyalanineSer-PheME225291--2348253.11829
seryltyrosineSer-TyrME2252924575735-1714269.1132
serylvalineSer-ValME225293--1501205.11829
sinapoyl aldehydeSinapoyl aldehydeME2252945280802C056103564209.08084
S-methylglutathioneS-MethylglutathioneME2252873605667C113471610322.10674
sphinganineSphinganineME2252953126C008365175302.30536
sphingosineSphingosineME2252965353955C003195197300.28971
stearoyl ethanolamideStearoyl-EAME22529727902-5968.9328.32101
syringaldehydeSYRINGALDEHYDEME2252988655-3246183.06519
threonineThreonineME2252996288C00188713120.06552
threonylisoleucineThr-IleME225300--2135233.14959
threonylleucineThr-LeuME2253014420322-2204233.14959
threonylphenylalanineThr-PheME2253024099799-2500267.13394
threonylvalineThr-ValME225303416721-1574.5219.13394
tigloylglycineTiglylglycineME2253046441567-2523158.08117
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2253055810C01157705132.06552
tryptamineTryptamineME2253061150C003982323161.10733
tryptophanTryptophanME2253076305C000782445205.09716
tryptophylleucineTrp-LeuME225308323786-3369318.18122
tyramineTyramineME2253095610C004831503138.09134
tyrosineTyrosineME2253106057C000821516182.08117
tyrosylisoleucineTyr-IleME225311--2518295.16524
tyrosylleucineTyr-LeuME22531287071-2656295.16524
tyrosylphenylalanineTyr-PheME2253133421919-2890329.14959
tyrosylvalineTyr-ValME2253147009560-2041281.14959
uracilUracilME2253151174C001061149113.03456
valineValineME2253166287C001831040118.08626
valylalanineVal-AlaME225317334517-1278.6189.12337
valylarginineVal-ArgME2253184266827-794.2274.18737
valylasparagineVal-AsnME2253197020200-912232.12919
valylaspartateVal-AspME2253209964657-1073.3233.1132
valylglutamateVal-GluME2253217009623-1346247.12885
valylglutamineVal-GlnME2253225253209-1102246.14484
valylglycineVal-GlyME225323136487-1330175.10772
valylisoleucineVal-IleME2253245246012-2365231.17032
valylleucineVal-LeuME225325352039-2503.3231.17032
valylmethionineVal-MetME225326292427-2000249.12674
valylphenylalanineVal-PheME2253276993119-2790265.15467
valylserineVal-SerME225328139506-974205.11829
valylthreonineVal-ThrME2253294046492-1094219.13394
valyltyrosineVal-TyrME2253304065033-2000281.14959
valylvalineVal-ValME225331409682-1842217.15467
xanthineXanthineME2253321188C003851430153.04071
xanthosineXanthosineME22533364959C017621785285.08296
xanthurenateXanthurenic acidME2253345699C024702690206.04479


Analysis: UPLC/MS/MS NEGATIVE 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 acidME2253525312435-5558267.23295
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME2253535312513-5775295.26425
12,13-DiHOME12,13-DiHOMEME22535410236635C148295137313.23843
13-HODE + 9-HODEHODEME225355--5270295.22786
1-linolenoylglycerolMG 18:3ME22533553480978-5795277.2173
1-linoleoylglycerol (1-monolinolein)MG 18:2ME2253365283469-6226279.23295
1-linoleoylglycerophosphoethanolamine*LPE 18:2ME22533752925130-5725476.27826
1-linoleoylglycerophosphoinositol*LPI 18:2ME225338--5487595.28888
1-linoleoylglycerophosphoserine*LPS 18:2ME225339--5497.4520.26809
1-margaroylglycerophosphoethanolamine*LPE 17:0ME225340--6029466.29391
1-oleoylglycerol (1-monoolein)MG 18:1ME2253415283468-6457281.2486
1-oleoylglycerophosphoethanolamineLPE 18:1ME2253429547071-5928478.29391
1-oleoylglycerophosphoglycerol*LPG 18:1ME225343--5586.8509.2885
1-oleoylglycerophosphoinositol*LPI 18:1ME225344--5577597.30453
1-palmitoylglycerophosphateLPA 16:0ME2253456419701C040365752409.23606
1-palmitoylglycerophosphoethanolamineLPE 16:0ME2253469547069-5940452.27826
1-palmitoylglycerophosphoglycerol*LPG 16:0ME2253473300276-5549.7483.2728
1-palmitoylglycerophosphoinositol*LPI 16:0ME225348--5573571.28888
1-stearoylglycerophosphoethanolamineLPE 18:0/0:0ME2253499547068-6200480.30956
1-stearoylglycerophosphoglycerolLPG 18:0ME225350--5826511.30414
1-stearoylglycerophosphoinositolLPI 18:0/0:0ME225351--5800599.32018
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME225356164623-1787131.07136
2-hydroxypalmitate2-Hydroxypalmitic acidME22535792836-5508271.22786
2-hydroxystearate2-Hydroxystearic acidME22535869417C030455705299.25917
2-isopropylmalate2-Isopropylmalic acidME22535977C02504732175.06119
2-linoleoylglycerol (2-monolinolein)MG 18:2ME2253605365676-5988279.23295
2-methylcitrate2-Methylcitric acidME225361439681C02225596205.03537
2-oleoylglycerol (2-monoolein)MG 0:0/18:1(9Z)/0:0ME2253625319879-6364.3281.2486
2-palmitoylglycerol (2-monopalmitin)MG 0:0/16:0/0:0ME225363123409-6112.6255.23295
2-palmitoylglycerophosphoethanolamine*LPE 16:0ME225364--5790452.27826
2-palmitoylglycerophosphoglycerol*LPG 16:0ME225365--5497483.2728
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME2253669378C036721395181.05063
3-hydroxydecanoate3-Hydroxydecanoic acidME22536726612-4681187.13396
3-hydroxyoctanoate3-Hydroxyoctanoic acidME22536826613-3463159.10266
3-methyl-2-oxobutyrateKetoisovaleric acidME22536949C001411489115.04006
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME22537047C006712106129.05571
4-hydroxycinnamatecis-p-Coumaric acidME225371637542C008111474163.04006
4-methyl-2-oxopentanoateKetoleucineME22537270C002332200129.05571
5-methyluridine (ribothymidine)RibothymidineME225373445408-1774257.07791
5-oxoprolinePyroglutamic acidME2253747405C01879744128.03531
8-hydroxyoctanoate8-Hydroxyoctanoic acidME22537569820-2323159.10266
9,10-DiHOME9,10-DiHOMEME2253769966640C148285177313.23843
abscisateAbscisic acidME2253775280896C060823195263.12888
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME22537883697C032641854131.07136
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME22537999823-1142117.05571
apigeninApigeninME2253805280443C014773880269.04554
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME22538169362-1043117.05572
caproate (6:0)Caproic acidME2253828892C015852766115.07645
caprylate (8:0)Caprylic acidME225383379C064234367143.10775
chrysoeriolChrysoeriolME2253845280666C042933935.2299.05611
cinnamatetrans-Cinnamic acidME225385444539C004232888147.04515
citrateCitric acidME225386311C00158591191.01972
cytosine-2',3'-cyclic monophosphate2',3' cyclic CMPME225387417654C02354957304.03401
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME2253886439848C165255722307.26425
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME2253895280581C032425600305.2486
dihydroferulic acidDihydroferulic acidME22539014340-1929195.06628
dihydroquercetinTaxifolinME225391471C123162210303.05102
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME2253925282807C165336017335.29555
eicosenoate (20:1n9 or 11)cis-Gondoic acidME2253935282768-5955309.27982
ferulatetrans-Ferulic acidME225394445858C014941810193.05063
heptanoate (7:0)Heptylic acidME2253958094C177143695129.0921
hippurateHippuric acidME225396464C015862136178.05096
histidineHistidineME2253976274C00135757154.0622
hypoxanthineHypoxanthineME225398790C002621313135.03123
inosineInosineME2253996021C002941600267.07349
Isobar: fructose 1,6-diphosphate, glucose 1,6-diph...-ME225400--572338.9888
isovalerateIsovaleric acidME22540110430C082621623101.0608
kaempferol 3-O-beta-glucoside-ME225402--3085447.09328
linoleate (18:2n6)Linoleic acidME2254035280450C015955533279.23295
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME2254045280934C064275450277.2173
luteolinLuteolinME2254055280445C015143545285.04046
margarate (17:0)Margaric acidME22540610465-5733269.2486
methyl-beta-glucopyranoside-ME2254072108-1083193.07176
N-acetylmethionineN-AcetylmethionineME225408448580C027121805190.05434
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME225409193368-926206.0492
N-acetylphenylalanineN-AcetylphenylalanineME22541074839C035192590206.08226
N-acetyltaurineN-AcetyltaurineME225411159864-794.2166.01795
N-acetylthreonineN-AcetylthreonineME225412152204C01118846160.06153
N-acetyltyrosineN-AcetyltyrosineME22541368310-1677222.07718
oleate (18:1n9)Oleic acidME225414445639C007125660281.2486
oleic ethanolamideOleoyl-EAME2254155283454-6553324.2908
orotateOrotic acidME225416967C00295768155.00983
palmitate (16:0)Palmitic acidME225417985C002495619255.23295
palmitoleate (16:1n7)Palmitoleic acidME225418445638C083625477253.2173
palmitoyl ethanolamidePalmitoyl-EAME2254194671C165126416298.27515
phenyllactate (PLA)Phenyllactic acidME2254203848C056072237165.05571
phosphoethanolaminePhosphoethanolamineME2254211015C00346644140.01182
pinoresinolPinoresinolME22542273399-4167357.13436
pseudouridinePseudouridineME225423-C020671104243.06226
pyridoxate4-Pyridoxic acidME2254246723C008472210182.04588
pyroglutamylvalinePyroGlu-ValME225425152416-1755227.10373
resveratrolResveratrolME225426445154C035823818227.07136
secoisolariciresinolSecoisolariciresinolME22542765373C181673987361.16566
sinapateSinapic acidME225428637775C004821986223.06119
stearate (18:0)Stearic acidME2254295281C015305886283.26425
syringic acidSyringic acidME22543010742C108331416197.04554
urateUric acidME2254311175C00366769167.02106
uridineUridineME2254326029C002991430243.06226
uridine-2',3'-cyclic monophosphate2',3' cyclic UMPME2254334634036C023551082305.01803
vanillateVanillic acidME2254348468C066721159167.03498
vanillinVanillinME2254351183C007552320151.04006


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