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Analysis: HPLC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate-ME16726513119151-11.78353.2306
1,5-anhydro-D-mannitol1,5-Anhydro-mannitolME167272445184-12.87165.0762
2,3-dihydroxy-3-methylvalerate2,3-Dihydroxy-3-methylvaleric acidME16727412-0.8149.0807
2-(6'-methylthio)hexylmalate-ME16727344237241-1.57265.1117
2-aceto-2-hydroxy-butanoate2-AcetolactateME16727522-0.83147.066
2-dehydro-3-deoxy-L-rhamnonate-ME16727649852300-0.89163.0602
(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanon...-ME16726625243894-0.9141.0548
2-isopropylmaleateIsopropylmaleateME1672775280533-0.89159.0656
2-keto-6-aminocaproate2-Keto-6-aminocaproateME16727826-0.85146.0815
2-keto-L-gulonate-ME1672797059386-8.3195.0486
2-oxindole-3-acetyl-L-aspartate-ME16728023-7.95307.0924
2-oxoglutarate2-Oxoglutaric acidME1672812-2.02147.0289
2-oxo-indole-3-acetate-ME16728223-7.97192.0653
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate-ME16726753323638-3.08188.0543
3-(2'-methylthio)ethylmalic-acid-ME16728332-1.01209.0497
3,4-dihydroxyphenylglycol3,4-DihydroxyphenylglycolME16728591528-2.38171.0632
3-methyladenine3-MethyladenineME1672863-1.65150.0776
3-(phosphonoacetylamido)-L-alanine-ME16728446926153-7.59227.0441
4,5-dihydroxyisophthalate-ME16728754746222-1.2199.022
4,8-sphingadienine-ME16728871296149-12.77298.2741
4-aminobenzoatep-Aminobenzoic acidME1672894876-0.89138.0553
4-AMINOBUTANOATEgamma-Aminobutyric acidME167290119-0.86104.0713
4-deoxypyridoxine 5'-phosphate4-Deoxypyridoxine 5'-phosphateME16729195687-7.59234.0523
4-GUANIDINOBUTANOATE4-Guanidinobutanoic acidME167292500-1.72146.0928
4-hydroxy-2,5-dimethyl-3(2H)-furanoneFuraneolME16729319309-0.81129.055
4-hydroxy-5-methyl-2-methylene-3(2H)-furanone-ME16729417755065-0.89127.0393
4-hydroxybutanoate4-Methylthiobutylhydroximoyl-cysteinylglycineME1672954-0.83105.0551
4-HYDROXY-L-PHENYLGLYCINE4-HydroxyphenylglycineME16729636143-0.89168.0657
4-methylthiobutanaldoxime4-MethylthiobutanaldoximeME1672973-0.76134.0644
4-methylthiobutylhydroximoyl-cysteinylglycine4-Methylthiobutylhydroximoyl-cysteinylglycineME16729890658957-1.68310.0873
4-methylumbelliferone_R14-MethylumbelliferoneME1672995280567-12.54177.0549
4-methylumbelliferone_R24-MethylumbelliferoneME1673005280567-8.28177.0535
4-prenylphlorisovalerophenone_R1-ME16730125200610-14.85279.159
4-prenylphlorisovalerophenone_R2-ME16730225200610-13.66279.159
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME167303137-0.8132.065
5-hydroxyindole acetate5-Hydroxyindoleacetic acidME1673045-8.56192.0658
5-methoxyindoleacetaldehyde5-MethoxyindoleacetaldehydeME16730545479662-7.73190.0846
5-methyl-DL-tryptophan_R1-ME1673065-8.71219.1131
5-methyl-DL-tryptophan_R2-ME1673075-0.8219.113
5-methylthiopentanaldoxime5-MethylthiopentanaldoximeME16730825010757-0.79148.0797
5'-n-propylthioadenosine-ME1673095-0.85326.1269
6-gingerolGingerolME167310442793-12.88295.1906
6-methylthiohexylhydroximate-ME16731144237358-1.24194.066
7,8-dihydropterin7,8-DihydropterinME16731265260-0.76166.0712
7-hydroxy-2-oxindole-3-acetic-acid_R1-ME167313723-8.03208.0606
7-hydroxy-2-oxindole-3-acetic-acid_R2-ME167314723-7.58208.0607
8-methylthiooctanaldoxime8-MethylthiooctanaldoximeME16731525010745-0.93190.1268
8-methylthiooctylhydroximate-ME16731644237310-0.89222.0972
9,10-epoxy-12-cis-octadecenoate-ME16731786583477-14.73297.2421
(9Z)-12,13,17-trihydroxyoctadeca-9-enoate_R1-ME16726852940143-11.19331.2483
(9Z)-12,13,17-trihydroxyoctadeca-9-enoate_R2-ME16726952940143-11.78331.2487
(9Z,12E)-octadecadienoate-ME16727025246006-16.43281.2475
acetylcholineAcetylcholineME167318187-0.8147.1244
AdenineAdenineME167319190-1.63136.0621
AdenosineAdenosineME16732060961-5.92268.1041
Adenosine monophosphateAMPME1673216083-1.79348.0702
ADPADPME1673226022-0.98428.0364
albaflavenone_R1AlbaflavenoneME16732325137938-14.43219.1746
albaflavenone_R2AlbaflavenoneME16732425137938-15.92219.1745
allantoateAllantoic acidME1673255287444-0.83177.0619
ALLANTOINAllantoinME167326204-0.86159.0514
allylcysteineS-AllylcysteineME16732723437571-3.01162.0585
ALPHA-AMINOADIPATEAminoadipic acidME16732892136-0.89162.0762
alpha-ethyl-L-glutamate-ME167259--1.2176.0921
alpha-methyl-tyrosineMetyrosineME167260--7.28196.0971
aminoethoxyvinylglycine-ME1673296436272-0.89161.0924
ammelineAmmelineME16733012583-7.13128.0548
ArginineArginineME1673316322-0.76175.1193
Aspartic acidAspartic acidME1673325960-0.77134.0451
benzoateBenzoic acidME167333242-3.54123.0446
benzylisothiocyanateBenzyl isothiocyanateME1673342346-6.68150.0383
bergaptenBergaptenME1673355-7.93217.0509
BETA-ALANINEbeta-AlanineME167336239-0.7890.0557
beta-eudesmolbeta-EudesmolME167261--15.37223.2057
BETAINEBetaineME167337247-0.91118.0867
betalamate-ME16733825246067-1212.054
Caffeine-D3CaffeineME16733913001298-8198.1065
CDPCDPME1673406132-0.87404.0251
CITRATECitric acidME167341311-2.02215.0165
CITRULLINECitrullineME1673429750-0.84176.1033
CMPCMPME1673436131-0.92324.0591
coniferyl alcoholConiferyl alcoholME1673441549095-7.12181.0861
coumarin_R1CoumarinME167345323-8.92147.0442
coumarin_R2CoumarinME167346323-7.03147.0442
crepenynate-ME1673475461139-15.62279.2318
cycloheptadienyl_R1-ME16734844123451-9.28225.0757
cycloheptadienyl_R2-ME16734944123451-8.31225.0757
CYS-GLYCys-GlyME167350439498-0.89179.0488
CYTOSINECytosineME167351597-0.89112.051
D-(+)-GLUCOSAMINEGlucosamineME167352439213-0.82180.0869
D-GLUCOSE-6-PHOSPHATEGlucose 6-phosphateME1673535958-0.9261.0373
D-glucurono-6,3-lactoneGlucuronolactoneME16735492283-1.24177.0382
D-glyceraldehydeGlyceraldehydeME16735579014-5.4791.0397
DIETHANOLAMINEDiethanolamineME1673568113-0.79106.0868
dihydrocoumarin3,4-Dihydro-2H-1-benzopyran-2-oneME167357660-13.69149.0601
dihydrosanguinarineDihydrosanguinarineME167358124069-10.88334.1081
DIMBOA2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-oneME1673592358-8.3212.0554
DIMBOA-beta-D-glucoside-ME167360--8.33374.1084
dioxindole-3-acetyl-3-O-beta-glucose-ME16736125244878-7.6370.1135
dithiothreitolD-1,4-DithiothreitolME167362446094-2.03155.02
D-ribuloseD-RibuloseME167363151261-1.5151.062
D-sorbitolSorbitolME1673655780-3.56183.0849
D-SORBITOLSorbitolME1673645780-0.8205.0686
ethiinEthiinME167366146416-0.84166.0535
ethionineL-EthionineME16736725674-6.65164.0728
ethyleneglycol-P-ME16736812691400-2.02143.0104
gamma-glutamyl-ethylamide-ME167262--0.9175.1079
gamma-glutamyl-isopropylamide-ME167263--1.38189.1234
germacra-1(10),4,11(13)-trien-12-oate-ME16736925245824-14.34235.1694
GlutamineGlutamineME1673705961-0.79147.0767
glutathioneGlutathioneME167371124886-1.68308.0914
GLYCINEGlycineME167372750-0.7876.0401
guanineGuanineME167374764-6.38152.057
GUANINEGuanineME167373764-1.6152.0563
GuanosineGuanosineME1673756802-6.38284.0987
Guanosine monophosphateGMPME1673766804-2.08364.0651
HistidineHistidineME1673776274-0.76156.0771
homoarginineHomoarginineME1673789085-0.84189.1346
homomethionineHomomethionineME16737911298145-0.75164.0742
hypusineHypusineME16738065396-0.75234.1813
indole-3-acetate_R1Indoleacetic acidME167381802-9.97176.0707
indole-3-acetate_R2Indoleacetic acidME167382802-8.01176.0706
indole-3-acetate_R3Indoleacetic acidME167383802-7.88176.0708
indole-3-acetyl-L-aspartateIndole-3-acetyl-aspartic acidME1673846921620-8.85291.0975
indole-3-acetyl-N-beta-D-glucoseIndole-3-acetyl-N-beta-D-glucoseME16738525203545-7.86338.1238
indole-3-acetyl-tyrosine-ME16738644123409-10.07339.1336
indole-3-carboxylateIndole-3-carboxylic acidME16738769867-7.82162.0548
ISOCITRIC ACIDIsocitric acidME1673881198-1.2215.0165
L-2-amino-4-oxo-5-chloropentanoate_R1-ME16739025200575-1.22166.0251
L-2-amino-4-oxo-5-chloropentanoate_R2-ME16739125200575-2.03166.0263
L-2-aminoadipatealpha-Aminoadipic acidME16739292136-1.59162.0762
L-2-PHOSPHOGLYCERIC ACID2-Phosphoglyceric acidME167393439278-0.89187.0003
L-ASPARAGINEAsparagineME1673946267-0.76133.0611
lathyrineLathyrineME167395166766-0.8183.0867
L-beta-phenylalanine-ME167389--6.36166.0865
L-dehydro-ascorbate_R1L-Dehydroascorbic acidME16739615558810-2.02175.024
L-dehydro-ascorbate_R2L-Dehydroascorbic acidME16739715558810-1.17175.0241
L-dopachromeDopachromeME16739846173181-8.3194.0447
Leucine-D10LeucineME167399--2.58142.1649
L-glutamate-5-semialdehydeL-Glutamic-gamma-semialdehydeME167400193305-2.03132.0659
linoleateLinoleic acidME1674015280450-12.92281.2478
lipoamideLipoamideME167402863-1.63206.0661
L-IsoleucineIsoleucineME1674036306-2.58132.1023
L-METHIONINEMethionineME1674046137-1.5150.0587
L-pipecolatePipecolic acidME167405439227-0.72130.0865
L-quinateQuinic acidME1674066508-8.55193.0691
L-SERINESerineME1674075951-0.76106.0505
MANNOSEMannoseME16740818950-0.81203.0529
melilotate3-(2-Hydroxyphenyl)propanoic acidME167409873-13.52167.0708
methionol3-(Methylthio)-1-propanolME16741010448-0.76107.0538
methyl (indol-3-yl)acetateIndole-3-methyl acetateME16741174706-11.56190.0866
methylsuccinateMethylsuccinic acidME16741210349-0.89133.0497
mugineate-ME16741345266663-0.79321.1289
N-ACETYLPUTRESCINEN-AcetylputrescineME167415122356-1.21131.1182
N-amino DAPN-Dimethylethanolamine phosphateME16741625201959-9.08206.1152
N-dimethylethanolamine phosphateN-Dimethylethanolamine phosphateME16741725201906-0.78170.0585
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME167418440120-0.77189.1599
nicotinamideNiacinamideME167419936-3.79123.0557
NICOTINATENicotinic acidME167420938-1.5124.0397
N-METHYL-D-ASPARTIC ACIDN-Methyl-D-aspartic acidME16742122880-0.82148.0607
norfuraneolNorfuraneolME1674224564493-0.89115.0395
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME16741464969-0.79170.0926
octanal_R1CaprylaldehydeME167423454-12.5129.1279
octanal_R2CaprylaldehydeME167424454-9.12129.1278
O-feruloylquinate_R1-ME167425--8.21369.1178
O-feruloylquinate_R2-ME167426--8.72369.1178
omega-hydroxylaurate-ME167264--12.71217.1803
penicillaminePenicillamineME1674275852-1.81150.0581
phaseic acidPhaseic acidME1674285281527-12.87281.1383
phlorisovalerophenone4-HeptanoneME16742931246-9.89211.0966
phosphatePhosphoric acidME1674301061-0.9198.9848
PHOSPHOCHOLINECholine phosphateME1674321014-0.79184.0735
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME1674311005-0.88168.9897
phytosphingosinePhytosphingosineME167433122121-12.95318.3
PIPECOLATEPipecolic acidME167434439227-1.32130.0867
piperidinePiperidineME1674358082-2.3686.0972
ProlineProlineME167436614-0.89116.0712
pseudobaptigeninPseudobaptigeninME1674375281805-8.16283.0592
PYRIDOXALPyridoxalME1674381050-1.99168.0658
pyruvatePyruvic acidME167439107735-1.1389.0241
QUINATEQuinic acidME1674406508-0.85193.0694
(R)-MALATED-Malic acidME16727192824-1.13157.0111
S-(5'-ADENOSYL)-L-METHIONINES-AdenosylmethionineME16744134755-0.88399.1441
S-5-methylthiopentylhydroximoyl-L-cysteine-ME16744244237267-8.13267.0848
S-8-methylthiooctylhydroximoyl-L-cysteine-ME16744344237198-11.93309.131
scoparone_R1ScoparoneME1674448417-9.27207.0652
scoparone_R2ScoparoneME1674458417-8.31207.0654
sinapyl-alcoholSinapyl alcoholME1674465280507-7.28211.0963
SN-GLYCEROL 3-PHOSPHATEsn-Glycero-3-phosphateME167447439162-0.83173.0227
succinateSuccinic acidME167448160419-2.41119.0343
SUCCINATESuccinic acidME1674491110-2.38141.0159
SUCROSESucroseME1674505988-0.93365.1059
ThreonineThreonineME1674516288-0.79120.0659
TRANS-ACONITATEtrans-Aconitic acidME167452444212-3.37197.0057
TRANS-CINNAMATEtrans-Cinnamic acidME167453444539-9.88149.06
TryptophanTryptophanME1674546305-7.73205.0973
Tryptophan-2,3,3-D3TryptophanME167455--7.73208.1161
Tryptophan-2,3,3-D3-NH3TryptophanME167456--7.73191.0895
Tryptophan-NH3TryptophanME167457--7.73188.0709
TyrosineTyrosineME1674586057-3.56182.0816
uracilUracilME1674591174-3.01113.0352
URACILUracilME1674601174-1.51113.0352
UrateUric acidME1674611175-1.98169.0359
Uridine 5'-diphosphateUDPME1674626031-0.9405.0092
Uridine 5'-monophosphateUMPME1674636030-1.34325.0435
UROCANATEUrocanic acidME167464736715-2.13139.0504
ValineValineME1674656287-1.18118.0868
vanillyl mandelate_R1Vanillylmandelic acidME1674666931438-7.68199.0602
vanillyl mandelate_R2Vanillylmandelic acidME1674676931438-8.5199.0601


Analysis: HPLC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3-dioctanoylglycerol_R1-ME167472150911-10.64329.233
1,3-dioctanoylglycerol_R2-ME167473150911-11.18329.233
1,3-dioctanoylglycerol_R3-ME167474150911-11.78329.2329
15-hydroxysolavetivone15-HydroxysolavetivoneME16747525200393-14.33233.1544
1-O-vanilloyl-beta-D-glucose_R11-O-Vanilloyl-beta-D-glucoseME167476--7.18329.0872
1-O-vanilloyl-beta-D-glucose_R21-O-Vanilloyl-beta-D-glucoseME167477--7.53329.0871
2,4',5,7-tetrahydroxyisoflavanone_R12-Hydroxy-2,3-dihydrogenisteinME167478443902-9.98287.0558
2,4',5,7-tetrahydroxyisoflavanone_R22,5,7-Trihydroxy-4'-methoxyisoflavanoneME167479443902-10.59287.0558
2,5,7-trihydroxy-4'-methoxyisoflavanone2,5,7-Trihydroxy-4'-methoxyisoflavanoneME16748025203448-11.34301.0718
2,5-DIHYDROXYBENZOATEGentisic acidME1674813469-7.58153.0191
2,5-dihydroxybenzoate 5-O-beta-D-glucoside_R1-ME167482--7.57315.072
2,5-dihydroxybenzoate 5-O-beta-D-glucoside_R2-ME167483--7.11315.0719
2-alpha-D-glucosyl-D-glucose [M+Cl]--ME167484--0.89377.0856
2-C-methyl-D-erythritol-2,4-cyclodiphosphate_R1-ME1674852-0.8276.9886
2-C-methyl-D-erythritol-2,4-cyclodiphosphate_R2-ME1674862-0.83276.9885
2-deoxy-alpha-D-ribose 1-phosphateDeoxyribose 1-phosphateME167487--11.29213.015
2-deoxy-D-galactose (fructose/glucose)-ME167488--0.97163.0609
2'-deoxyribose-ME1674892-1.59133.0506
2-hydroxy-3-nitropropionate-ME16749078448633-1.01135.0183
2-hydroxy-5-methylquinone_R1-ME16749169212-8.03137.0243
2-hydroxy-5-methylquinone_R2-ME16749269212-10.09137.0243
2-isopropylmaleateIsopropylmaleateME1674935280533-8.08157.0503
2-oxindole-3-acetyl-L-aspartate-ME16749423-7.94305.0777
2-oxoadipateOxoadipic acidME1674952-1.85159.0298
2-oxo-indole-3-acetate-ME16749623-8.55190.0509
2-oxopent-4-enoate-ME1674979543147-0.81113.0243
2-oxopenta-3,4-dienoate-ME16749825203760-2.03111.0085
3,5-dihydroxybenzoatem-CresolME16749954706645-9.04153.0191
3-carboxy-4-methoxy-N-methyl-2-pyridonem-CresolME167500342-6.42182.0459
3-hydroxy-2-oxo-indole-3-acetate-ME16750125202316-8.02206.0457
3-hydroxypropionaldehyde3-HydroxypropanalME16750275049-2.3973.0288
3-methylthiopropyl-glucosinolate-ME1675033-2.02406.0321
4-amino-2-methyl-5-phosphomethylpyrimidine4-Amino-2-methyl-5-phosphomethylpyrimidineME16750725244846-0.8218.0328
4-(beta-D-glucosyloxy)benzoate_R1-ME167504--6.66299.0767
4-(beta-D-glucosyloxy)benzoate_R2-ME167505--7.28299.077
4-(beta-D-glucosyloxy)benzoate_R3-ME167506--7.63299.0768
4-hydroxybenzaldehyde4-HydroxybenzaldehydeME1675084-8.66121.0295
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME167509979-8.44179.0348
4-methylthiobutanaldoxime4-MethylthiobutanaldoximeME1675103-0.78132.0486
4-methylumbelliferyl glucoside-ME1675112733779-7.93337.0926
4-nitrophenyl phosphate4-Nitrophenyl phosphateME167512378-0.78218.9941
4-prenylphlorisovalerophenone_R1-ME16751325200610-13.65277.1437
4-prenylphlorisovalerophenone_R2-ME16751425200610-13.03277.1438
5-amino-6-(5-phospho-D-ribosylamino)uracilD-Ribofuranosylamine 5-phosphateME16751525245199-8.39353.0513
5-hydroxytryptophol glucuronide_R15-Hydroxytryptophol glucuronideME167516--7.9352.1032
5-hydroxytryptophol glucuronide_R25-Hydroxytryptophol glucuronideME167517--8.02352.1032
5-methylthiopentanaldoxime5-MethylthiopentanaldoximeME16751825010757-0.79146.0649
5-OXO-L-PROLINEPyroglutamic acidME1675197405-1.9128.0354
6-diazo-5-oxonorleucine-ME16752025246179-8.87171.0661
6-gingerol_R1GingerolME167521442793-12.21293.1753
6-gingerol_R2GingerolME167522442793-12.87293.1753
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME16752391493-0.9275.0193
7-hydroxy-2-oxindole-3-acetate glucoside7-Methylthioheptyl-desulfoglucosinolateME167524723-7.59368.0983
7-methylthioheptyldesulfoglucosinolate7-Methylthioheptyl-desulfoglucosinolateME16752590657713-0.88382.1347
7-methylxanthine7-MethylxanthineME1675267-0.82165.0403
9,10-epoxy-12-cis-octadecenoate_R1-ME16752786583477-14.73295.2271
9,10-epoxy-12-cis-octadecenoate_R2-ME16752886583477-13.71295.2272
(9R,10S)-dihydroxystearate-ME16747025201835-12.89315.2541
acetoacetateAcetoacetic acidME1675293-0.81101.024
acetylmaltose_R1Acetyl-maltoseME167530439660-7.85383.1179
acetylmaltose_R2Acetyl-maltoseME167531439660-8.17383.118
AdenineAdenineME167532190-1.62134.0471
adenosine 3',5'-bisphosphate-ME16753335-1.22426.0218
ADENOSINE 5'-MONOPHOSPHATEAMPME1675346083-1.8346.0549
adenylo-succinateAdenylsuccinic acidME16753546878398-6.58462.0663
adipateAdipic acidME167536200164-7.17145.0505
ALLANTOINAllantoinME167537204-0.85157.0367
allicinAllicinME16753865036-2.16161.0089
ALPHA-AMINOADIPATEAminoadipic acidME16753992136-0.87160.0615
ALPHA-KETOGLUTARIC ACID2-Oxoglutaric acidME16754051-1.37145.014
alpha-ketol-ME167468--13.17311.2226
alpha-methyl-tyrosineMetyrosineME167469--13.4194.0818
ArginineArginineME1675416322-0.76173.1043
Aspartic acidAspartic acidME1675425960-0.78132.0303
benzyladenineCytokinin BME16754362389-13.28224.0926
benzylglucosinolate-ME16754421600402-12.45408.0421
BETA-ALANINEbeta-AlanineME167545239-0.7888.0399
CITRATECitric acidME167546311-2.02191.0195
cycloheptadienyl-ME16754744123451-9.28223.0611
CYTIDINE 5'-DIPHOSPHATECDPME1675486132-0.87402.0097
D-(-)-3-PHOSPHOGLYCERIC ACID_R13-Phosphoglyceric acidME167549724-0.79184.9855
D-(-)-3-PHOSPHOGLYCERIC ACID_R23-Phosphoglyceric acidME167550724-0.81184.9855
D-(-)-ARABINOSEArabinoseME16755166308-0.9149.0452
D-galacto-hexodialdoseGalacto-hexodialdoseME167553439962-1.85177.0402
D-glucurono-6,3-lactoneGlucuronolactoneME16755492283-1.3175.0244
D-GLUCURONOLACTONEGlucuronolactoneME16755592283-0.8193.0352
dihydroconiferyl alcohol glucosideDihydroconiferyl alcohol glucosideME16755614427336-9.12343.1396
dihydroconiferyl aldehydeDihydroconiferyl aldehydeME167557529899-11.23179.0712
DIMBOA-beta-D-glucoside_R1-ME167558--7.57372.0923
DIMBOA-beta-D-glucoside_R2-ME167559--8.32372.0927
diphosphatePyrophosphateME167560644102-0.77176.9358
diphyllinDiphyllinME167561100492-0.89379.0816
DL-3-aminobutyrate-ME16756225201443-0.81102.0558
D-(+)-RAFFINOSERaffinoseME167552439242-0.88503.1617
D-RIBOSE 5-PHOSPHATERibose 5-phosphateME167563439167-0.79229.0115
D-SACCHARIC ACIDGlucaric acidME16756433037-0.81209.0303
D-SORBITOLSorbitolME1675655780-0.79181.0714
D-xylonolactoneD-Xylono-1,5-lactoneME167566439692-1.54147.0298
ethylnitronateEthylnitronateME167567--0.7774.0241
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME16756810267-0.72338.9887
GDP-beta-L-fucoseGDP-beta-L-fucoseME167569--1.2588.0739
GLUCONIC ACIDGluconic acidME16757010690-0.79195.051
Glucose 6-phosphate/Fructose 6-phosphateGlucose 6-phosphateME167571--0.78259.0224
Glucose/Fructose [M+Cl]-HexoseME167572--0.8215.0329
GlutamineGlutamineME1675735961-0.78145.0617
glutarateGlutaric acidME167574743-0.81131.0349
glutarate semialdehydeGlutarate semialdehydeME167575439963-3.09115.04
GLUTATHIONEGlutathioneME167576124886-1.69306.0759
GlyceraldehydeGlyceraldehydeME167577751-0.8189.024
GLYCERALDEHYDEGlyceraldehydeME167578751-1.389.024
GLYCERATEGlyceric acidME167579439194-0.9105.019
GLYCEROL 2-PHOSPHATEsn-Glycero-2-phosphateME1675802526-0.79171.0062
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME167581439964-0.8245.0427
GLYCOLATEGlycolic acidME167582757-1.1275.008
GMPGMPME1675836804-2.1362.0507
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester)...-ME167584--7.86546.1726
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester)...-ME167585--8.11546.1726
gossypol-6,6'-dimethyl ether-ME16758625200979-0.87545.2203
GUANINEGuanineME167587764-1.58150.0413
GuanosineGuanosineME1675886802-6.37282.0839
HistidineHistidineME1675896274-0.76154.0621
homogentisateHomogentisic acidME167590780-9.14167.0348
HOMOVANILLATEHomovanillic acidME1675911738-7.58181.0506
indole-3-acetyl-L-aspartateIndole-3-acetyl-aspartic acidME1675926921620-8.84289.0823
indole-3-carbinolIndole-3-carbinolME1675933712-8.55146.0611
inosineInosineME1675956021-6.26267.0731
InosineInosineME1675946021-0.88267.0719
ISOCITRIC ACIDIsocitric acidME1675961198-1.04191.0194
L-2-aminoadipatealpha-Aminoadipic acidME16759792136-1.67160.0615
L-ASPARAGINEAsparagineME1675986267-0.77131.0462
linoleateLinoleic acidME1675995280450-16.41279.233
L-METHIONINEMethionineME1676006137-1.49148.0437
L-SERINESerineME1676015951-0.76104.035
L-threonateThreonic acidME16760221145021-0.84135.0299
MALEIC ACIDMaleic acidME167603444266-2.17115.0034
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME16760494214-0.9193.0715
MEVALOLACTONEMevalolactoneME16760510428-2.3147.0662
mugineate-ME16760645266663-0.79319.1145
MYO-INOSITOLMyo-inositolME167607892-0.82179.0558
N-METHYL-D-ASPARTIC ACIDN-Methyl-D-aspartic acidME16760822880-0.81146.0456
O-feruloylquinate_R1-ME167609--8.11367.103
O-feruloylquinate_R2-ME167610--8.61367.1031
oxalosuccinateOxalosuccinic acidME167611972-0.91189.0041
penicillin NPenicillin NME16761271724-0.84358.1069
phenoxy radical VIII-ME16761313815501-11.24271.0613
phlorisovalerophenone4-HeptanoneME16761431246-8.6209.082
phosphate_R1Phosphoric acidME1676151061-0.7796.9692
phosphate_R2Phosphoric acidME1676161061-0.8296.9684
phthalatePhthalic acidME167617181977-8.21165.0192
pimelatePimelic acidME167618385-7.97159.066
pyrimidin-2-one-ribonucleoside-ME167619100016-0.81227.0657
QUINATEQuinic acidME1676206508-0.87191.0558
rishitinRishitinME167621108064-14.09221.1547
(R)-MALATED-Malic acidME16747192824-1.01133.0142
scopolinScopolinME167622439514-7.59353.0874
SHIKIMATEShikimic acidME1676238742-1.11173.0455
sinapaldehyde glucosideSinapaldehyde glucosideME16762425244544-0.81369.1209
suberateSuberic acidME1676255249080-8.67173.0816
SUCCINATESuccinic acidME1676261110-2.4117.0193
SUCROSESucroseME1676275988-0.87341.1079
ThreonineThreonineME1676286288-0.79118.0509
TRIBOATRIBOAME16762910965465-10.38196.0249
triketide pyrone-ME16763044237250-10.64181.087
TyrosineTyrosineME1676316057-3.54180.0662
UDPUDPME1676326031-0.9402.994
UDP-alpha-D-galactose-ME167633--0.86565.0475
UMPUMPME1676346030-1.34323.0283
UrateUric acidME1676351175-1.97167.0207
URIDINEUridineME1676366029-3243.062
XANTHINEXanthineME1676371188-2.65151.0261
XYLITOLXylitolME1676386912-0.81151.061


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