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Return to study ST003307 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
12-Ketodeoxycholic acid
12-Ketolithocholic acid
ME866562
-
-
-
-
12-oxo-PDA
12-OPDA
ME866343
-
-
-
-
12(S)-HETrE
12S-HETrE
ME866368
-
-
-
-
12S-HHT
12S-HHTrE
ME866160
-
-
-
-
13,16,19-Docosatrienoic acid
13,16,19-Docosatrienoic acid
ME866602
-
-
-
-
13,16-Docosadienoic acid
13,16-Docosadienoic acid
ME866259
-
-
-
-
13(S)-Hydroperoxylinolenic acid
13S-HpOTrE
ME866120
-
-
-
-
15-keto-PGE1
15-Keto-PGE1
ME866348
-
-
-
-
Indole-3-Carboxaldehyde
1H-Indole-3-carboxaldehyde
ME866648
-
-
-
-
1-Naphthol
1-Naphthol
ME866390
-
-
-
-
1-Pentanol
1-Pentanol
ME866122
-
-
-
-
20-Carboxy-leukotriene B4
20-Carboxy-LTB4
ME866325
-
-
-
-
2-Acetoxy-4-Pentadecylbenzoic Acid
2-Acetoxy-4-pentadecyl-benzoic acid
ME866533
-
-
-
-
2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxyp...
2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine
ME866599
-
-
-
-
Furfural
2-Furancarboxaldehyde
ME866356
-
-
-
-
2-Hydroxyadenine
2-Hydroxyadenine
ME866319
-
-
-
-
2-Keto-6-acetamidocaproate
2-Keto-6-acetamidocaproic acid
ME866302
-
-
-
-
2-Phenylacetamide
2-Phenylacetamide
ME866425
-
-
-
-
2-Pyrrolidinone
2-Pyrrolidinone
ME866623
-
-
-
-
N-Methyl-2-pyrrolidinone
2-Pyrrolidinone
ME866456
-
-
-
-
3,4-dihydroxyphenylacetic Acid
3,4-Dihydroxybenzeneacetic acid
ME866433
-
-
-
-
3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid
3alpha,6beta,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic acid
ME866357
-
-
-
-
3alpha-Hydroxyoreadone
3alpha-Hydroxyoreadone
ME866435
-
-
-
-
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4a...
3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate
ME866212
-
-
-
-
3-Ketosphingosine
3-Ketosphingosine
ME866230
-
-
-
-
3-Methylsuberic acid
3-Methylsuberic acid
ME866457
-
-
-
-
Ginsenoside Re
3-Methyluridine
ME866127
-
-
-
-
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME866530
-
-
-
-
4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol
4alpha-Carboxy-4beta-methyl-zymosterol
ME866166
-
-
-
-
4alpha-Methylzymosterol
4alpha-Methylzymosterol
ME866152
-
-
-
-
4-Amino-5-hydroxymethyl-2-methylpyrimidine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME866609
-
-
-
-
4-Aminobutyraldehyde
4-Aminobutyraldehyde
ME866638
-
-
-
-
4-Guanidinobutanoic Acid
4-Guanidinobutanoic acid
ME866482
-
-
-
-
2(5H)-Furanone
4-Hydroxy-2-butenoic acid gamma-lactone
ME866146
-
-
-
-
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME866622
-
-
-
-
4-Hydroxynonenal
4-Hydroxynonenal
ME866328
-
-
-
-
4-Hydroxyquinoline
4-Hydroxyquinoline
ME866096
-
-
-
-
4-Octylphenol
4-Octylphenol
ME866531
-
-
-
-
4-Methyl-5-Thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME866626
-
-
-
-
5'-Deoxyadenosine
5'-Deoxyadenosine
ME866475
-
-
-
-
5-KETE
5-Oxo-ETE
ME866215
-
-
-
-
5-HPETE
5S-HpETE
ME866639
-
-
-
-
5(S)-Hydroperoxyeicosatetraenoic acid
5S-HpETE
ME866208
-
-
-
-
6-Deoxocastasterone
6-Deoxocastasterone
ME866289
-
-
-
-
6-deoxoteasterone
6-Deoxoteasterone
ME866130
-
-
-
-
7a-Hydroxyandrost-4-ene-3,17-dione
7a-Hydroxyandrost-4-ene-3,17-dione
ME866551
-
-
-
-
8-Amino-7-oxononanoic acid
8-Amino-7-oxononanoic acid
ME866190
-
-
-
-
9,10-Epoxystearic acid
9,10-Epoxystearic acid
ME866195
-
-
-
-
9,12,13-TriHOME
9,12,13-TriHOME
ME866294
-
-
-
-
9(S)-HODE
9S-HODE
ME866333
-
-
-
-
9(S)-HPODE
9S-HpODE
ME866510
-
-
-
-
KAPA
Acetoacetic acid
ME866184
-
-
-
-
Acetylisoniazid
Acetylisoniazid
ME866129
-
-
-
-
Adenine
Adenine
ME866483
-
-
-
-
Adenosine
Adenosine
ME866473
-
-
-
-
Ala-Leu
Ala-Leu
ME866449
-
-
-
-
L-Alanine
Alanine
ME866592
-
-
-
-
Alpha-Ionone
alpha-Ionone
ME866608
-
-
-
-
Alpha-Irone
alpha-Irone
ME866158
-
-
-
-
Alpha-Muricholic Acid
alpha-Muricholic acid
ME866640
-
-
-
-
Aminocaproic acid
Aminocaproic acid
ME866498
-
-
-
-
L-Asparagine
Asparagine
ME866489
-
-
-
-
Behenic acid
Behenic acid
ME866322
-
-
-
-
Benzeneacetonitrile
Benzeneacetonitrile
ME866156
-
-
-
-
Beta-Cortol
beta-Cortol
ME866512
-
-
-
-
Betaine
Betaine
ME866503
-
-
-
-
Betulinic acid
Betulinic acid
ME866386
-
-
-
-
Biuret
Biuret
ME866491
-
-
-
-
2-Butyne-1,4-diol
But-2-yne-1,4-diol
ME866417
-
-
-
-
Cajanol
Cajanol
ME866567
-
-
-
-
Caprylic acid
Caprylic acid
ME866191
-
-
-
-
Butyrylcarnitine
CAR 4:0
ME866387
-
-
-
-
2-Hexenoylcarnitine
CAR 6:1
ME866420
-
-
-
-
L-Carnitine
Carnitine
ME866598
-
-
-
-
Carteolol
Carteolol
ME866395
-
-
-
-
Carvone
Carvone
ME866154
-
-
-
-
Cerulenin
Cerulenin
ME866101
-
-
-
-
Cidofovir
Cidofovir
ME866227
-
-
-
-
Cinnamaldehyde
Cinnamaldehyde
ME866326
-
-
-
-
P-Coumaric Acid
cis-p-Coumaric acid
ME866654
-
-
-
-
Clavulanate
Clavulanate
ME866102
-
-
-
-
Coniferyl alcohol
Coniferyl alcohol
ME866352
-
-
-
-
Coniferaldehyde
Coniferyl aldehyde
ME866385
-
-
-
-
Cortisone acetate
Cortisone acetate
ME866641
-
-
-
-
Coumarin
Coumarin
ME866359
-
-
-
-
Cucurbic acid
Cucurbic acid
ME866232
-
-
-
-
Cuminaldehyde
Cuminaldehyde
ME866401
-
-
-
-
Cyclohexane
Cyclohexane
ME866217
-
-
-
-
Cyclo(his-pro)
Cyclo(His-Pro)
ME866619
-
-
-
-
Cytidine
Cytidine
ME866611
-
-
-
-
Cytosine
Cytosine
ME866615
-
-
-
-
Dalfopristin
Dalfopristin
ME866128
-
-
-
-
Dehydrophytosphingosine
Dehydrophytosphingosine
ME866499
-
-
-
-
Dehydrovomifoliol
Dehydrovomifoliol
ME866642
-
-
-
-
(+)-Dehydrovomifoliol
Dehydrovomifoliol
ME866427
-
-
-
-
Deoxyadenosine
Deoxyadenosine
ME866643
-
-
-
-
Deoxycytidine
Deoxycytidine
ME866620
-
-
-
-
Desogestrel
Desogestrel
ME866366
-
-
-
-
DG(16:1(9Z)/14:1(9Z)/0:0)
DG 16:1(9Z)/14:1(9Z)/0:0*
ME866270
-
-
-
-
Diethanolamine
Diethanolamine
ME866633
-
-
-
-
Dihydrouracil
Dihydrouracil
ME866616
-
-
-
-
Dihydrozeatin
Dihydrozeatin
ME866462
-
-
-
-
Dimethyl Sulfoxide
Dimethyl sulfoxide
ME866485
-
-
-
-
9-Hydroxylinoleic acid
Dimorphecolic acid
ME866178
-
-
-
-
Dodecanol
Dodecanol
ME866271
-
-
-
-
Dopamine
Dopamine
ME866396
-
-
-
-
Doxazosin
Doxazosin
ME866145
-
-
-
-
Beta-D-ribosylnicotinate
D-Ribosylnicotinate
ME866492
-
-
-
-
Eicosapentaenoic acid
Eicosapentaenoic acid
ME866194
-
-
-
-
Epothilone D
Epothilone D
ME866304
-
-
-
-
Epsilon-Caprolactam
Epsilon-caprolactam
ME866095
-
-
-
-
Ethyl hydrogen fumarate
Ethyl hydrogen fumarate
ME866601
-
-
-
-
Fagomine
Fagomine
ME866229
-
-
-
-
Fasoracetam
Fasoracetam
ME866636
-
-
-
-
5'-Phosphoribosyl-N-formylglycinamide
FGAR
ME866487
-
-
-
-
Fluocinolone
Fluocinolone
ME866404
-
-
-
-
Gamma-Glu-leu
gamma-Glutamylleucine
ME866099
-
-
-
-
Germacrene D
Germacrene D
ME866125
-
-
-
-
Gibberellin A8-catabolite
Gibberellin A8-catabolite
ME866174
-
-
-
-
Gluconolactone
Gluconolactone
ME866488
-
-
-
-
L-Glutamine
Glutamine
ME866467
-
-
-
-
Glycyrrhetinic acid
Glycyrrhetinic acid
ME866351
-
-
-
-
Glycylleucine
Gly-Leu
ME866403
-
-
-
-
Glycyl-leucine
Gly-Leu
ME866447
-
-
-
-
Guanine
Guanine
ME866466
-
-
-
-
Guanosine
Guanosine
ME866332
-
-
-
-
Hexenal
Hexenal
ME866646
-
-
-
-
Histidylglutamine
His-Gln
ME866098
-
-
-
-
Histidylleucine
His-Leu
ME866446
-
-
-
-
DL-4-Hydroxyphenyllactic Acid
Hydroxyphenyllactic acid
ME866115
-
-
-
-
Hypoxanthine
Hypoxanthine
ME866314
-
-
-
-
Ibuprofen
Ibuprofen
ME866375
-
-
-
-
Ifosfamide
Ifosfamide
ME866583
-
-
-
-
Ile Ala
Ile-Ala
ME866625
-
-
-
-
Ile Ile
Ile-Ile
ME866100
-
-
-
-
Ile Leu
Ile-Leu
ME866422
-
-
-
-
Ile Phe
Ile-Phe
ME866107
-
-
-
-
Isoleucylproline
Ile-Pro
ME866416
-
-
-
-
Ile Ser
Ile-Ser
ME866476
-
-
-
-
Ile Val
Ile-Val
ME866634
-
-
-
-
Indole
Indole
ME866647
-
-
-
-
Indoleacrylic acid
Indoleacrylic acid
ME866362
-
-
-
-
Isophorone
Isophorone
ME866536
-
-
-
-
16-Hydroxyhexadecanoic acid
Juniperic acid
ME866150
-
-
-
-
Kievitone
Kievitone
ME866564
-
-
-
-
Lactitol
Lactitol
ME866379
-
-
-
-
Lactose
Lactose
ME866649
-
-
-
-
N,n-Bis(2-hydroxyethyl)dodecanamide
Lauroyl diethanolamide
ME866301
-
-
-
-
Leucylleucine
Leu-Leu
ME866103
-
-
-
-
Leucylproline
Leu-Pro
ME866421
-
-
-
-
Lithocholic acid
Lithocholic acid
ME866650
-
-
-
-
Lotaustralin
Lotaustralin
ME866455
-
-
-
-
Maltol
Maltol
ME866587
-
-
-
-
Methylguanidine
Methylguanidine
ME866600
-
-
-
-
Methyl Jasmonate
Methyl jasmonate
ME866651
-
-
-
-
Mexiletine
Mexiletine
ME866113
-
-
-
-
M-Xylene
m-Xylene
ME866329
-
-
-
-
Myristic acid
Myristic acid
ME866365
-
-
-
-
9-Tetradecenoic acid
Myristoleic acid
ME866185
-
-
-
-
Myristoleic acid
Myristoleic acid
ME866287
-
-
-
-
N-Acetyl-D-galactosamine
N-Acetylgalactosamine
ME866652
-
-
-
-
N-Acetyl-D-mannosamine
N-Acetyl-mannosamine
ME866586
-
-
-
-
N2-Acetyl-L-ornithine
N-Acetylornithine
ME866478
-
-
-
-
N-Undecanoylglycine
NA-Gly 11:0
ME866251
-
-
-
-
Niacinamide
Niacinamide
ME866481
-
-
-
-
Lauryldiethanolamine
N-Lauryldiethanolamine
ME866563
-
-
-
-
N-Methyl-1-deoxynojirimycin
N-Methyl-1-deoxynojirimycin
ME866506
-
-
-
-
N-Methyl-D-Aspartic Acid
N-Methyl-D-aspartic acid
ME866595
-
-
-
-
1-Methyl-2-Pyrrolidinone
N-Methylpyrrolidin-2-one
ME866440
-
-
-
-
Diethyltoluamide
N,N-Diethyl-m-toluamide
ME866344
-
-
-
-
N,N-Dimethyldodecylamine-N-oxide
N,N-Dimethyldodecylamine N-oxide
ME866149
-
-
-
-
N,N-Dimethylsphingosine
N,N-Dimethylsphingosine
ME866371
-
-
-
-
N'-nitrosonornicotine
N'-Nitrosonornicotine
ME866189
-
-
-
-
Norleucine
Norleucine
ME866468
-
-
-
-
Norvaline
Norvaline
ME866617
-
-
-
-
Nuatigenin
Nuatigenin
ME866244
-
-
-
-
Octylamine
Octylamine
ME866219
-
-
-
-
Oleamide
Oleamide
ME866292
-
-
-
-
Oleanolic Acid
Oleanolic acid
ME866590
-
-
-
-
Oleic acid
Oleic acid
ME866196
-
-
-
-
Orcinol
Orcinol
ME866413
-
-
-
-
O-Toluidine
o-Toluidine
ME866448
-
-
-
-
PA(20:3(8Z,11Z,14Z)/15:0)
PA 20:3(8Z,11Z,14Z)/15:0*
ME866214
-
-
-
-
Palmitic amide
Palmitamide
ME866528
-
-
-
-
Pantothenic Acid
Pantothenic acid
ME866571
-
-
-
-
P-Cymene
p-Cymene
ME866249
-
-
-
-
Pentaethylene glycol
Pentaethylene glycol
ME866280
-
-
-
-
Prostaglandin A2
PGA2
ME866206
-
-
-
-
Phe Gly
Phe-Gly
ME866451
-
-
-
-
Phe Ile
Phe-Ile
ME866111
-
-
-
-
Phenylacetic acid
Phenylacetic acid
ME866321
-
-
-
-
Phenylacetylglycine
Phenylacetylglycine
ME866097
-
-
-
-
Phe Val
Phe-Val
ME866436
-
-
-
-
Pinolidoxin
Pinolidoxin
ME866153
-
-
-
-
Piperidine
Piperidine
ME866220
-
-
-
-
Polidocanol
Polidocanol
ME866541
-
-
-
-
Porphobilinogen
Porphobilinogen
ME866461
-
-
-
-
PS(18:1(9Z)/15:0)
PS 18:1(9Z)/15:0*
ME866268
-
-
-
-
PS(22:2(13Z,16Z)/15:0)
PS 22:2(13Z,16Z)/15:0*
ME866222
-
-
-
-
Pseudouridine
Pseudouridine
ME866508
-
-
-
-
Putrescine
Putrescine
ME866412
-
-
-
-
Pyridoxal
Pyridoxal
ME866479
-
-
-
-
Pyroglutamic Acid
Pyroglutamic acid
ME866300
-
-
-
-
Pyrroline
Pyrroline
ME866486
-
-
-
-
8-Hydroxyquinoline
Quinolin-8-ol
ME866441
-
-
-
-
Resolvin E1
Resolvin E1
ME866298
-
-
-
-
Rimantadine
Rimantadine
ME866148
-
-
-
-
L-Serine
Serine
ME866504
-
-
-
-
Shikimic acid
Shikimic acid
ME866236
-
-
-
-
Sinapic Acid
Sinapic acid
ME866500
-
-
-
-
Soyasapogenol B
Soyasapogenol B
ME866165
-
-
-
-
Soyasapogenol E
Soyasapogenol E
ME866576
-
-
-
-
LysoSM(d18:1)
Sphingosine-1-phosphocholine
ME866211
-
-
-
-
(S,S)-Butane-2,3-diol
(S,S)-Butane-2,3-diol
ME866516
-
-
-
-
Stachyose
Stachyose
ME866537
-
-
-
-
Octadecanamide
Stearamide
ME866534
-
-
-
-
Styrene
Styrene
ME866655
-
-
-
-
Sucrose
Sucrose
ME866502
-
-
-
-
Tebupirimfos
Tebupirimfos
ME866238
-
-
-
-
Tetracosahexaenoic acid
Tetracosahexaenoic acid
ME866428
-
-
-
-
1,2,3,4-Tetrahydronaphthalene
Tetralin
ME866309
-
-
-
-
Barringtogenol C
Theasapogenol B
ME866382
-
-
-
-
L-Threonine
Threonine
ME866509
-
-
-
-
Thr Phe
Thr-Phe
ME866092
-
-
-
-
Thymidine
Thymidine
ME866454
-
-
-
-
ANETHOLE
trans-Anethole
ME866407
-
-
-
-
Trans-Cinnamic acid
trans-Cinnamic acid
ME866656
-
-
-
-
Traumatic acid
Traumatic acid
ME866383
-
-
-
-
Traumatin
Traumatin
ME866384
-
-
-
-
Tridihexethyl
Tridihexethyl
ME866277
-
-
-
-
Sterol
Triethanolamine
ME866183
-
-
-
-
Trigonelline
Trigonelline
ME866496
-
-
-
-
Trimethoprim
Trimethoprim
ME866460
-
-
-
-
L-Tryptophan
Tryptophan
ME866465
-
-
-
-
Tuliposide A
Tuliposide A
ME866637
-
-
-
-
Uracil
Uracil
ME866316
-
-
-
-
Ursodeoxycholic acid
Ursodeoxycholic acid
ME866313
-
-
-
-
Ursolic acid
Ursolic acid
ME866181
-
-
-
-
Val Ile
Val-Ile
ME866094
-
-
-
-
Val Leu
Val-Leu
ME866443
-
-
-
-
Val Val
Val-Val
ME866459
-
-
-
-
Vanilloylglycine
Vanilloylglycine
ME866429
-
-
-
-
Vanillylamine
Vanillylamine
ME866469
-
-
-
-
Vomifoliol
Vomifoliol
ME866114
-
-
-
-
Walleminone
Walleminone
ME866495
-
-
-
-
Xanthine
Xanthine
ME866480
-
-
-
-
1,10-Epoxygermacrone
-
ME866250
-
-
-
-
11-Oxohexadecanoic acid
-
ME866554
-
-
-
-
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylbu...
-
ME866290
-
-
-
-
1,25-Dihydroxy-16-ene-23-yne-vitamin D3
-
ME866566
-
-
-
-
1,25-Dihydroxy-19-norvitamin D3
-
ME866275
-
-
-
-
1,25-Dihydroxyvitamin D3-26,23-lactone
-
ME866588
-
-
-
-
1,2,5-Trihydroxypyrrole-3-sulfonic acid
-
ME866518
-
-
-
-
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadie...
-
ME866568
-
-
-
-
12-Hydroxy-8,10-octadecadienoic acid
-
ME866231
-
-
-
-
(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid
-
ME866293
-
-
-
-
15-Deoxyprostaglandin J2
-
ME866135
-
-
-
-
17-Hydroxylinolenic acid
-
ME866179
-
-
-
-
1-Carboxycyclohexaneacetic Acid
-
ME866445
-
-
-
-
1-Isopropyl citrate
-
ME866629
-
-
-
-
1-Methyl-1,3-cyclohexadiene
-
ME866136
-
-
-
-
1-Methyl-2-hydroadenosine
-
ME866628
-
-
-
-
(20E)-Ginsenoside F4
-
ME866434
-
-
-
-
(20R)-Ginsenoside Rh2
-
ME866306
-
-
-
-
22-Angeloylbarringtogenol C
-
ME866147
-
-
-
-
2,2-Dimethyl-5-hydroxy-1-pyrrolidinyloxy
-
ME866091
-
-
-
-
2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)b...
-
ME866458
-
-
-
-
2,4,4-Trimethylcyclopentanone
-
ME866349
-
-
-
-
2,5-Heptadien-1-ol
-
ME866168
-
-
-
-
25(R)-Hydroxyprotopanaxadiol
-
ME866282
-
-
-
-
(2alpha,3beta)-20(29)-Lupene-2,3,28-triol
-
ME866339
-
-
-
-
2-Amino-2-methyl-1-propanol
-
ME866613
-
-
-
-
2-Amino-3-cyclohexylpropanoic acid
-
ME866281
-
-
-
-
2-Aminobutan-1-ol
-
ME866584
-
-
-
-
2-Cyclopentene-1,4-dione
-
ME866580
-
-
-
-
2-(Diisopropylamino)ethanol
-
ME866535
-
-
-
-
2-hydroxy-3-methyl-2-Cyclopenten-1-one
-
ME866514
-
-
-
-
2-Hydroxy-4-oxo-5,12-heneicosadien-1-yl acetate
-
ME866256
-
-
-
-
2-Hydroxyacetophenone
-
ME866565
-
-
-
-
2-Hydroxypent-3-enenitrile
-
ME866423
-
-
-
-
2-Hydroxypurine
-
ME866621
-
-
-
-
2-n-Propyl-4-oxopentanoic acid
-
ME866347
-
-
-
-
2-(Octadecyloxy)ethanol
-
ME866317
-
-
-
-
2-Pentyl-3-phenyl-2-propenal
-
ME866363
-
-
-
-
2-Phenyl-1,3-propanediol monocarbamate
-
ME866630
-
-
-
-
2-Phenylethanol glucuronide
-
ME866093
-
-
-
-
(2S,3S)-3-Decyl-2-Hydroxy-2-(3-Methoxy-3-oxopropyl...
-
ME866296
-
-
-
-
2-trans-6-cis-Dodecadienal
-
ME866350
-
-
-
-
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid
-
ME866372
-
-
-
-
3-(4-Hydroxy-3-methoxyphenyl)-2-methylpropionic ac...
-
ME866577
-
-
-
-
3,5,5-Trimethyl-1,2-cyclohexanedione
-
ME866505
-
-
-
-
3,5-Dihydroxy-6,7-megastigmadien-9-one
-
ME866575
-
-
-
-
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanat...
-
ME866573
-
-
-
-
(3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,2...
-
ME866527
-
-
-
-
3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole
-
ME866104
-
-
-
-
(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergos...
-
ME866121
-
-
-
-
(3E,5E)-1,3,5-octatriene
-
ME866338
-
-
-
-
(3E,5Z)-3,5-Octadien-1-ol
-
ME866574
-
-
-
-
3-ethylphenyl Sulfate
-
ME866442
-
-
-
-
3-Hydroxy-4-aminopyridine sulfate
-
ME866627
-
-
-
-
3-Hydroxyibuprofen
-
ME866090
-
-
-
-
3-Iodoprop-2-yn-1-yl Butylcarbamate
-
ME866223
-
-
-
-
3-Methyl-3H-imidazo[4,5-f]quinolin-2-Amine
-
ME866444
-
-
-
-
3-O-(beta-D-Glucopyranosyl)-soyasapogenol B
-
ME866582
-
-
-
-
3-Oxo-12,18-ursadien-28-oic acid
-
ME866511
-
-
-
-
(3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-t...
-
ME866523
-
-
-
-
(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one
-
ME866201
-
-
-
-
4-(1,1,3,3-Tetramethylbutyl)-phenol
-
ME866263
-
-
-
-
4-[(2R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxol...
-
ME866192
-
-
-
-
4-[[4-[(1-propylsulfonylpiperidin-4-yl)methyl]phen...
-
ME866361
-
-
-
-
4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthaleno...
-
ME866308
-
-
-
-
4,5-Dihydrovomifoliol
-
ME866247
-
-
-
-
4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-tr...
-
ME866278
-
-
-
-
4-Hydroxymethylpyrazole
-
ME866607
-
-
-
-
4-Hydroxyretinoic acid
-
ME866240
-
-
-
-
4-Mercapto-ethyl-pyridine
-
ME866471
-
-
-
-
4-O,6-O-Benzylidene-alpha-D-glucopyranose
-
ME866358
-
-
-
-
4-oxo-Retinoic acid
-
ME866335
-
-
-
-
4-Piperidinone, 1-hydroxy-2,2,6,6-tetramethyl-
-
ME866414
-
-
-
-
4-Vinylcyclohexene
-
ME866241
-
-
-
-
5,6,7,8-tetrahydro-2-Naphthoic Acid
-
ME866419
-
-
-
-
5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one
-
ME866606
-
-
-
-
5,6-Epoxy-8,11,14-eicosatrienoic acid
-
ME866186
-
-
-
-
5-(6-hydroxy-6-methyloctyl)furan-2(5H)-one
-
ME866173
-
-
-
-
5alpha-Androst-1-en-3-one
-
ME866547
-
-
-
-
5'-Deoxy-5-fluorouridine
-
ME866224
-
-
-
-
5-Hydroxy-2-imino-1-methylimidazolidin-4-one
-
ME866470
-
-
-
-
5-Hydroxy-3,3',4',7,8-pentamethoxyflavone
-
ME866245
-
-
-
-
5-Hydroxycapsanthin-5,6-epoxide
-
ME866543
-
-
-
-
5-Hydroxyoct-2-enedioylcarnitine
-
ME866493
-
-
-
-
5-Megastigmen-7-yne-3,9-diol 3-glucoside
-
ME866142
-
-
-
-
5-Methyl-2-furaldehyde
-
ME866515
-
-
-
-
(5xi,9xi,13xi,18xi,19beta)-3-Oxolup-20(29)-en-28-o...
-
ME866315
-
-
-
-
6,9,12,15,18,21-Tetracosahexaenoic acid
-
ME866585
-
-
-
-
6-Dehydrotestosterone glucuronide
-
ME866133
-
-
-
-
6-Methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
-
ME866484
-
-
-
-
7-Acetylintermedine
-
ME866233
-
-
-
-
7alpha,17beta-Dihydroxyandrost-4-en-3-one
-
ME866591
-
-
-
-
(+/-)7-epi Jasmonic Acid
-
ME866342
-
-
-
-
(7-methoxy-1-benzofuran-2-yl)-[4-(2-pyrazol-1-ylet...
-
ME866578
-
-
-
-
9,19-Cyclolanost-25-ene-3,24-diol
-
ME866603
-
-
-
-
9H-Purine-9-ol
-
ME866463
-
-
-
-
Acetolein
-
ME866624
-
-
-
-
Actein
-
ME866213
-
-
-
-
Alisol A
-
ME866364
-
-
-
-
Alisol B
-
ME866524
-
-
-
-
All-trans-13,14-dihydroretinol
-
ME866237
-
-
-
-
Alpha-Bisabolol oxide B
-
ME866323
-
-
-
-
Alpha-curcumene
-
ME866276
-
-
-
-
Alpha-Cyperol
-
ME866210
-
-
-
-
Alpha-Elemolic acid
-
ME866393
-
-
-
-
Alpha,gamma-Onoceradienedione
-
ME866597
-
-
-
-
Alpha-Terpineol acetate
-
ME866283
-
-
-
-
Alpha-Terpineol propanoate
-
ME866204
-
-
-
-
Andrographolide
-
ME866202
-
-
-
-
Annonacin
-
ME866291
-
-
-
-
Arctiol
-
ME866526
-
-
-
-
Arkofix
-
ME866228
-
-
-
-
Ascorbyl stearate
-
ME866288
-
-
-
-
Bafilomycin A1(Baf-A1)
-
ME866424
-
-
-
-
Beta-Thujaplicin
-
ME866110
-
-
-
-
Betulin
-
ME866307
-
-
-
-
Brassidic acid
-
ME866164
-
-
-
-
Butylisopropylamine
-
ME866218
-
-
-
-
C2 PHYTOCERAMIDE
-
ME866264
-
-
-
-
Cafestol
-
ME866297
-
-
-
-
Camelliagenin C
-
ME866312
-
-
-
-
Capsidiol
-
ME866305
-
-
-
-
Carbamothioic acid, diethyl-
-
ME866409
-
-
-
-
Carotol
-
ME866108
-
-
-
-
Cetyl recinoleate
-
ME866286
-
-
-
-
Chavicol
-
ME866558
-
-
-
-
CHEBI:69439
-
ME866432
-
-
-
-
Chenodeoxycholylserine
-
ME866254
-
-
-
-
Chlorobenzene
-
ME866438
-
-
-
-
Cholylsarcosine
-
ME866285
-
-
-
-
Cinnamyl acetate
-
ME866392
-
-
-
-
Cinncassiol C2
-
ME866345
-
-
-
-
Cis-Dihydrocarvone
-
ME866378
-
-
-
-
Cis-Quinceoxepane
-
ME866248
-
-
-
-
Citreoviridinol A1
-
ME866369
-
-
-
-
Clausarinol
-
ME866089
-
-
-
-
Cnidilide
-
ME866141
-
-
-
-
Cnp-maltotrioside
-
ME866501
-
-
-
-
Crotetamide
-
ME866117
-
-
-
-
Curdione
-
ME866261
-
-
-
-
Cycloart-23-ene-3beta,25-Diol
-
ME866610
-
-
-
-
Cyclo(L-Phe-L-Pro)
-
ME866400
-
-
-
-
Cyclooctyne
-
ME866193
-
-
-
-
Cyclopentanol
-
ME866593
-
-
-
-
Cyperolone
-
ME866353
-
-
-
-
Cysteinylhydroxyproline
-
ME866474
-
-
-
-
D6-Ambrettolide
-
ME866337
-
-
-
-
Daucol
-
ME866209
-
-
-
-
Daunosamine
-
ME866327
-
-
-
-
D-(+)-dihydrocarvone
-
ME866198
-
-
-
-
Decyl alcohol
-
ME866406
-
-
-
-
Dehydrocurdione
-
ME866310
-
-
-
-
Delta-CEHC
-
ME866170
-
-
-
-
Deoxycholylarginine
-
ME866197
-
-
-
-
Desmethylmisonidazole
-
ME866618
-
-
-
-
DG(8:0/20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0)
-
ME866235
-
-
-
-
DG(8:0/a-17:0/0:0)
-
ME866118
-
-
-
-
D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose
-
ME866267
-
-
-
-
DG(i-14:0/PGJ2/0:0)
-
ME866257
-
-
-
-
Dibutylamine
-
ME866437
-
-
-
-
Dihydroceramide
-
ME866262
-
-
-
-
Dihydroceramide C2
-
ME866258
-
-
-
-
Dihydroconiferyl alcohol
-
ME866137
-
-
-
-
Dihydrojasmonic acid
-
ME866163
-
-
-
-
Dihydrotachysterol
-
ME866131
-
-
-
-
Dillanol
-
ME866555
-
-
-
-
DL-p-Chlorophenylalanine methyl ester hydrochlorid...
-
ME866106
-
-
-
-
Dmap-ethyl-paf
-
ME866540
-
-
-
-
(E)-6,10-Dimethyl-9-methylene-5-undecen-2-one
-
ME866205
-
-
-
-
Ecklonialactone A
-
ME866161
-
-
-
-
Enalaprilat
-
ME866644
-
-
-
-
Epigoitrin
-
ME866464
-
-
-
-
Epinepetalactone
-
ME866415
-
-
-
-
Epoxyeremopetasinorol
-
ME866397
-
-
-
-
Epsilon-(Carboxymethyl)lysine
-
ME866477
-
-
-
-
Eremopetasidione
-
ME866177
-
-
-
-
Eremopetasinorol
-
ME866426
-
-
-
-
Estradiol-17alpha 3-D-glucuronoside
-
ME866330
-
-
-
-
Etaspirene
-
ME866569
-
-
-
-
Ethyl 3-hydroxydodecanoate
-
ME866391
-
-
-
-
Etiracetam
-
ME866399
-
-
-
-
Eugenol
-
ME866418
-
-
-
-
Euscaphic acid
-
ME866589
-
-
-
-
FAHFA(16:0/10-O-18:0)
-
ME866299
-
-
-
-
Farnesyl acetone
-
ME866544
-
-
-
-
Fasciculic Acid B
-
ME866124
-
-
-
-
Fasciculol C
-
ME866126
-
-
-
-
Galactopinitol A
-
ME866497
-
-
-
-
Ganodermic acid TQ
-
ME866529
-
-
-
-
Geranylcitronellol
-
ME866614
-
-
-
-
Germacrone
-
ME866549
-
-
-
-
Gibberellin A19
-
ME866143
-
-
-
-
Ginsenoside C-K
-
ME866274
-
-
-
-
Ginsenoside Rg1
-
ME866645
-
-
-
-
Ginsenoside Rg3
-
ME866295
-
-
-
-
Ginsenoside Rg5
-
ME866355
-
-
-
-
Ginsenoside Rh3
-
ME866334
-
-
-
-
Ginsenoside Rh7
-
ME866411
-
-
-
-
Ginsenoside Rk1
-
ME866545
-
-
-
-
Glabric acid
-
ME866253
-
-
-
-
Gliocladic Acid
-
ME866167
-
-
-
-
Glucomannan
-
ME866354
-
-
-
-
Gonal
-
ME866272
-
-
-
-
Hebevinoside IV
-
ME866548
-
-
-
-
Helinorbisabone
-
ME866581
-
-
-
-
Hexadeca-7,10,13-trienoic acid
-
ME866169
-
-
-
-
Homodihydrojasmone
-
ME866199
-
-
-
-
Hovenine A
-
ME866546
-
-
-
-
Icofungipen
-
ME866539
-
-
-
-
Imidazolone A
-
ME866450
-
-
-
-
Isocolumbin
-
ME866472
-
-
-
-
Isocyperol
-
ME866560
-
-
-
-
Isoketocamphoric acid
-
ME866188
-
-
-
-
Isokobusone
-
ME866376
-
-
-
-
Isolubimin
-
ME866203
-
-
-
-
Isopentyl beta-D-glucoside
-
ME866187
-
-
-
-
Jacarandic acid
-
ME866132
-
-
-
-
Jasmolone
-
ME866340
-
-
-
-
Kanzonol O
-
ME866318
-
-
-
-
Kioukasin A
-
ME866239
-
-
-
-
Lappaol C
-
ME866381
-
-
-
-
Ligustroside
-
ME866360
-
-
-
-
Linalyl propionate
-
ME866134
-
-
-
-
Longicamphenylone
-
ME866538
-
-
-
-
LysoPA(a-21:0/0:0)
-
ME866138
-
-
-
-
Majoroside F1
-
ME866405
-
-
-
-
Maniladiol
-
ME866139
-
-
-
-
Manoalide
-
ME866180
-
-
-
-
Manoyl oxide
-
ME866242
-
-
-
-
Marrubiin
-
ME866550
-
-
-
-
Matricin
-
ME866402
-
-
-
-
Melledonal A
-
ME866162
-
-
-
-
Metabolite B
-
ME866632
-
-
-
-
MG(0:0/18:1(12Z)-O(9S,10R)/0:0)
-
ME866522
-
-
-
-
MG(i-24:0/0:0/0:0)
-
ME866255
-
-
-
-
Milbemycin beta2
-
ME866140
-
-
-
-
MJDBISSP00000001
-
ME866520
-
-
-
-
MJDBISSP00000002
-
ME866521
-
-
-
-
MJDBISSP00000009
-
ME866519
-
-
-
-
Mogrol
-
ME866284
-
-
-
-
Momorcharaside A
-
ME866410
-
-
-
-
Momorcharaside B
-
ME866105
-
-
-
-
Momordicoside C
-
ME866112
-
-
-
-
Momordicoside D
-
ME866367
-
-
-
-
Murrayenol
-
ME866490
-
-
-
-
Mycorradicin
-
ME866572
-
-
-
-
Myotoxin A
-
ME866557
-
-
-
-
N-(1-Hydroxypropan-2-yl)icosa-5,8,11,14-tetraenami...
-
ME866123
-
-
-
-
N-Docosahexaenoyl Asparagine
-
ME866234
-
-
-
-
Neoliquiritin 2''-apioside
-
ME866266
-
-
-
-
N-Epsilon-Acetyl-L-Lysine
-
ME866653
-
-
-
-
NILOTICIN
-
ME866324
-
-
-
-
Norrubrofusarin 6-beta-gentiobioside
-
ME866494
-
-
-
-
Notoginsenoside K
-
ME866336
-
-
-
-
Notoginsenoside R9
-
ME866388
-
-
-
-
N-Palmitoyl Cysteine
-
ME866579
-
-
-
-
N-Stearoyl Valine
-
ME866246
-
-
-
-
NX2 Toxin
-
ME866408
-
-
-
-
Oleanolic aldehyde
-
ME866377
-
-
-
-
Olpadronic acid
-
ME866225
-
-
-
-
Ornidazole
-
ME866398
-
-
-
-
Oxymetholone
-
ME866525
-
-
-
-
PA(a-15:0/PGF1alpha)
-
ME866513
-
-
-
-
Palitantin, (+)-
-
ME866226
-
-
-
-
Parasorbic acid
-
ME866109
-
-
-
-
PA(TXB2/20:3(8Z,11Z,14Z))
-
ME866182
-
-
-
-
P-Benzosemiquinone
-
ME866453
-
-
-
-
P-CHLOROPHENYLALANINE
-
ME866221
-
-
-
-
Pentamethylchromanol
-
ME866380
-
-
-
-
PG(i-12:0/20:4(5Z,8Z,11Z,14Z)-OH(18R))
-
ME866303
-
-
-
-
Polyethylene, oxidized
-
ME866373
-
-
-
-
Polyoxyethylene 40 monostearate
-
ME866341
-
-
-
-
Prenalterol
-
ME866631
-
-
-
-
Proazulene
-
ME866175
-
-
-
-
Protopanaxatriol
-
ME866311
-
-
-
-
Psilostachyin
-
ME866556
-
-
-
-
Psoralen
-
ME866439
-
-
-
-
P-Tolualdehyde
-
ME866561
-
-
-
-
Pubesenolide
-
ME866269
-
-
-
-
Quinquenoside F1
-
ME866370
-
-
-
-
(R)-3-Hydroxy-5-phenylpentanoic acid
-
ME866389
-
-
-
-
(R)-Apiumetin
-
ME866507
-
-
-
-
Risbitin
-
ME866172
-
-
-
-
Rubschisandrin
-
ME866331
-
-
-
-
Ruscogenin
-
ME866119
-
-
-
-
S-(2-Carboxyethyl)-L-cysteine
-
ME866452
-
-
-
-
Sanchinoside B1
-
ME866155
-
-
-
-
Schisandrin B
-
ME866594
-
-
-
-
Schisantherin B
-
ME866552
-
-
-
-
Schizandrin
-
ME866144
-
-
-
-
Sclareol oxide
-
ME866605
-
-
-
-
Secalciferol
-
ME866374
-
-
-
-
(S)-Mandelic acid O-beta-D-Glucopyranoside
-
ME866346
-
-
-
-
Solutol HS 15
-
ME866252
-
-
-
-
Sophoradiol
-
ME866542
-
-
-
-
Soyasapogenol B 24-O-b-D-glucoside
-
ME866151
-
-
-
-
Soyasapogenol C
-
ME866171
-
-
-
-
Soyasapogenol F
-
ME866273
-
-
-
-
(S)-(-)-Perillyl alcohol
-
ME866265
-
-
-
-
Spirolide E
-
ME866176
-
-
-
-
Spirotaccagenin
-
ME866596
-
-
-
-
Swainsonine
-
ME866430
-
-
-
-
Tanacetol A
-
ME866159
-
-
-
-
Tetracosahexaenoic acid, n-3
-
ME866394
-
-
-
-
Tetraethylene Glycol Monododecyl Ether
-
ME866279
-
-
-
-
Trans-2-Hexenal
-
ME866517
-
-
-
-
Trans-4-Aminocyclohexanecarboxylic acid
-
ME866604
-
-
-
-
Trans-EKODE-(E)-Ib
-
ME866559
-
-
-
-
Trans-p-Menthane-1,7,8-triol 8-glucoside
-
ME866431
-
-
-
-
Triisopropanolamine
-
ME866612
-
-
-
-
Tsugaric acid A 21-glucosyl ester
-
ME866553
-
-
-
-
Typhasterol
-
ME866216
-
-
-
-
Vinylcyclohexene
-
ME866570
-
-
-
-
Xenognosin A
-
ME866116
-
-
-
-
XI-Dihydro-2-methyl-3(2H)-thiophenone
-
ME866635
-
-
-
-
Xyloketal
-
ME866200
-
-
-
-
(+/-)-(Z)-2-(5-Tetradecenyl)cyclobutanone
-
ME866532
-
-
-
-
(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one
-
ME866243
-
-
-
-
(Z)-4-Hydroxy-6-dodecenoic acid lactone
-
ME866157
-
-
-
-
(Z)-9-Cycloheptadecen-1-one
-
ME866260
-
-
-
-
Zearalanone
-
ME866320
-
-
-
-
(Z)-Farnesol
-
ME866207
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
11(R)-HEDE
11R-HEDE
ME866781
-
-
6.6136
323.259
12,13-DHOME
12,13-DiHOME
ME866801
-
-
6.3641
359.2439
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME866799
-
-
6.372
431.3377
13(S)-HODE
13S-HODE
ME866904
-
-
6.5085
295.2276
11H-14,15-EETA
14,15-Ep-11-HETrE
ME866773
-
-
6.6694
317.2119
15-HETE
15-HETE
ME866905
-
-
6.5411
319.2277
18-HEPE
18-HEPE
ME866738
-
-
6.9069
635.4303
18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic aci...
18R-HEPE
ME866824
-
-
6.1869
339.1921
1-Kestose
1-Kestose
ME866660
-
-
0.7028
549.1674
1-Methyladenosine
1-Methyladenosine
ME866855
-
-
6.03
318.0618
20-Carboxyleukotriene B4
20-Carboxy-LTB4
ME866692
-
-
6.1622
365.1971
2,3-dinor Prostaglandin E1
2,3-Dinor-PGE1
ME866709
-
-
6.3236
325.2014
2-Hydroxy-3-Methylbutyric Acid
2-Hydroxy-3-methylbutyric acid
ME866888
-
-
2.4796
117.0545
2-Hydroxypentanoic Acid
2-Hydroxyvaleric acid
ME866884
-
-
2.8342
117.0546
2-Methoxyestrone
2-Methoxyestrone
ME866798
-
-
6.38
345.1709
2-phospho-D-glycerate
2-Phosphoglyceric acid
ME866935
-
-
0.5672
163.9505
3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al
3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al
ME866774
-
-
6.6614
385.1999
3-Hexenal
3-Hexenal
ME866708
-
-
6.3236
195.1384
3-Hydroxybenzoic Acid
3-Hydroxybenzoic acid
ME866875
-
-
3.7849
137.0234
3-Indolebutyric acid
3-Indolebutyric acid
ME866768
-
-
6.7334
465.2049
3-Methyl-2-Oxovaleric Acid
3-Methyl-2-oxovaleric acid
ME866936
-
-
3.8569
129.0546
4a-Methylzymosterol-4-carboxylic acid
4alpha-Carboxy-4beta-methyl-zymosterol
ME866939
-
-
6.6296
423.327
4-Methoxycinnamic Acid
4-Methoxycinnamic acid
ME866675
-
-
5.6338
177.0548
4-Methylbenzoic Acid
4-Methylbenzoic acid
ME866669
-
-
4.6079
135.0441
4-Nitrophenol
4-Nitrophenol
ME866938
-
-
5.7218
138.0186
4-Oxoproline
4-Oxo-proline
ME866662
-
-
2.7942
255.0619
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME866797
-
-
4.4799
172.0396
5'-Methylthioadenosine
5'-Methylthioadenosine
ME866898
-
-
0.6949
890.2649
6-Hydroxyhexanoic Acid
6-Hydroxycaproic acid
ME866866
-
-
4.6719
131.0703
9,10,13-TriHOME
9,10,13-TriHOME(11)
ME866827
-
-
6.1782
329.2332
9,10-Dihydroxystearic acid
9,10-Dihydroxystearic acid
ME866941
-
-
6.4765
315.2538
9-Oxo-nonanoic acid
9-Oxo-nonanoic acid
ME866819
-
-
6.2029
171.1018
9(S)-HpOTrE
9S-HpOTrE
ME866916
-
-
6.2835
309.2071
Abscisic Acid
Abscisic acid
ME866678
-
-
5.8739
263.1287
Acebutolol
Acebutolol
ME866862
-
-
5.0149
371.171
Arginyllysine
Arg-Lys
ME866767
-
-
6.7413
649.4113
Azelaic Acid
Azelaic acid
ME866851
-
-
5.8338
187.0969
Benzyl butyl phthalate
Benzyl butyl phthalate
ME866690
-
-
6.1222
357.1343
Brassinolide
Brassinolide
ME866943
-
-
6.0982
501.3226
Calanolide A
Calanolide A
ME866701
-
-
6.2349
415.1743
Coniferyl Aldehyde
Coniferyl aldehyde
ME866839
-
-
6.1062
177.0549
Danielone
Danielone
ME866881
-
-
3.0368
211.0605
Dehydrocostus Lactone
Dehydrocostus lactone
ME866670
-
-
4.8475
211.113
DIDP
dIDP
ME866895
-
-
0.7188
457.0161
Diethyl Phthalate
Diethyl phthalate
ME866693
-
-
6.1869
221.0814
Diethylpropion
Diethylpropion
ME866721
-
-
6.5571
250.1446
Docosanedioic acid
Docosanedioic acid
ME866722
-
-
6.6136
415.3066
Dodecanedioic Acid
Dodecanedioic acid
ME866944
-
-
6.2029
229.1441
Dodecylbenzenesulfonic Acid
Dodecylbenzenesulfonic acid
ME866803
-
-
6.3561
325.1842
Ecdysone
Ecdysone
ME866707
-
-
6.2995
485.2918
Ethyl glucuronide
Ethyl glucuronide
ME866719
-
-
0.7028
503.1617
Ethyl pentyl ketone
Ethyl pentyl ketone
ME866704
-
-
6.2589
173.1175
FAPy-adenine
FAPy-adenine
ME866892
-
-
0.8313
134.0461
Gamma-Tocotrienol
gamma-Tocotrienol
ME866735
-
-
6.883
455.3167
Geosmin
Geosmin
ME866792
-
-
6.4685
203.1435
L-Glutamate
Glutamic acid
ME866948
-
-
0.6077
146.0449
Hexadecanedioic acid
Hexadecanedioic acid
ME866946
-
-
6.3482
285.207
Isoleucyl-Aspartate
Ile-Asp
ME866664
-
-
3.1323
227.1032
Indole-3-Carboxylic Acid
Indole-3-carboxylic acid
ME866673
-
-
5.4658
160.0395
Jervine
Jervine
ME866776
-
-
6.6535
424.2834
Ketoleucine
Ketoleucine
ME866667
-
-
3.5828
129.0546
Leupeptin
Leupeptin
ME866770
-
-
6.7094
407.2763
Leucyl-Valine
Leu-Val
ME866882
-
-
2.8743
229.1553
Linoleic acid
Linoleic acid
ME866740
-
-
6.9228
301.2171
Malic Acid
Malic acid
ME866949
-
-
0.8152
133.0132
Maltotetraose
Maltotetraose
ME866894
-
-
0.7833
711.219
Jasmonic acid methyl ester
Methyl jasmonate
ME866947
-
-
6.0496
269.1392
Mono-(2-ethyl-5-carboxypentyl) phthalate
Mono-(2-ethyl-5-carboxypentyl) phthalate
ME866846
-
-
6.0816
329.1032
Tetradecanal
Myristaldehyde
ME866729
-
-
6.7334
257.2119
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME866887
-
-
2.5156
267.0732
N-Acetylleucine
N-Acetylleucine
ME866870
-
-
4.4559
172.0971
Nandrolone
Nandrolone
ME866814
-
-
6.2429
319.1914
Narirutin
Narirutin
ME866806
-
-
6.3316
561.156
Neocnidilide
Neocnidilide
ME866810
-
-
6.3236
239.1285
Nevirapine
Nevirapine
ME866927
-
-
6.0816
287.0926
Nigericin
Nigericin
ME866835
-
-
6.1302
769.4756
NORETHINDRONE ACETATE
Norethisterone acetate
ME866757
-
-
6.883
339.1997
Ovalicin
Ovalicin
ME866928
-
-
6.0576
341.1605
Oxotremorine
Oxotremorine
ME866950
-
-
7.0527
617.4211
Oxypurinol
Oxypurinol
ME866890
-
-
1.4397
151.0252
Palmitaldehyde
Palmitaldehyde
ME866758
-
-
6.875
285.2433
Pentadecanal
Pentadecanal
ME866731
-
-
6.7657
271.2277
Perfluorooctanoic acid
Perfluorooctanoic acid
ME866779
-
-
6.6136
412.9665
Prostaglandin D1
PGD1
ME866705
-
-
6.2675
353.2333
Prostaglandin J2
PGJ2
ME866951
-
-
6.6375
315.1963
L-Phenylalanine
Phenylalanine
ME866661
-
-
2.5631
164.0708
Phenylpyruvic Acid
Phenylpyruvic acid
ME866671
-
-
4.9035
163.0392
Floionolic acid
Phloionolic acid
ME866802
-
-
6.3641
331.2489
Phthalic Acid
Phthalic acid
ME866871
-
-
4.4244
165.0184
PI(16:0/16:1(9Z))
PI 16:0/16:1(9Z)*
ME866681
-
-
5.9674
843.4767
PSOROMIC ACID
Psoromic acid
ME866876
-
-
6.0896
357.0616
Pulegone
Pulegone
ME866804
-
-
6.3561
197.1177
Raffinose
Raffinose
ME866659
-
-
0.7028
539.1385
Rishitin
Rishitin
ME866830
-
-
6.1542
503.3381
Sebacic Acid
Sebacic acid
ME866854
-
-
6.0431
201.1126
Spinasaponin A
Spinasaponin A
ME866712
-
-
6.372
793.4396
Suberic Acid
Suberic acid
ME866812
-
-
5.0229
173.0811
Sulindac
Sulindac
ME866850
-
-
6.0656
401.0879
Testosterone
Testosterone
ME866809
-
-
6.3236
333.2071
Tetrahydrocortisone
Tetrahydrocortisone
ME866788
-
-
6.5172
363.2155
Threonylleucine
Thr-Leu
ME866883
-
-
2.8583
231.1345
Ferulic Acid
trans-Ferulic acid
ME866845
-
-
6.0896
193.05
Trehalose
Trehalose
ME866742
-
-
0.6629
387.1143
Thromboxane B2
TXB2
ME866826
-
-
6.1782
369.2282
Uridine
Uridine
ME866745
-
-
0.8392
243.062
Valylisoleucine
Val-Ile
ME866663
-
-
3.0448
229.1553
Valylleucine
Val-Leu
ME866665
-
-
3.2838
229.1553
Verbascose
Verbascose
ME866658
-
-
0.6949
863.2458
Zingerone
Zingerone
ME866703
-
-
6.2509
193.0861
(10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-o...
-
ME866817
-
-
6.2109
267.1601
11-Hydroxyandrosterone
-
ME866702
-
-
6.2429
351.2177
1,2-Anhydridoniveusin
-
ME866780
-
-
6.6136
357.1357
12-Hydroxyjasmonic acid glucoside
-
ME866863
-
-
4.7599
369.1554
12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid
-
ME866682
-
-
5.9735
343.2237
1,4-Cyclohexanedicarboxylic acid
-
ME866822
-
-
5.3628
171.0654
1,4-Pentanediamine, N4-(5-(hexyloxy)-6-methoxy-4-m...
-
ME866711
-
-
6.3561
394.2446
1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)...
-
ME866753
-
-
6.9148
485.2826
(17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta...
-
ME866795
-
-
6.404
467.2805
18-Dehydroursolic acid 3-arabinoside
-
ME866723
-
-
6.6136
567.3697
19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid
-
ME866720
-
-
6.5491
451.2855
1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3S,8S,9Z)-
-
ME866730
-
-
6.7573
519.3495
19-Oxotestosterone
-
ME866778
-
-
6.6136
663.3904
1-Hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid
-
ME866931
-
-
0.4734
175.9678
(1R,2S,3S,4R)-p-Menthane-2,3-diol
-
ME866813
-
-
6.2589
389.291
20-Cooh ltb4
-
ME866901
-
-
6.372
379.2108
2'',4''-Bis-O-(4-hydroxycinnamoyl)astragalin
-
ME866687
-
-
6.0816
739.1684
24-Oxo-1alpha,23,25-trihydroxyvitamin D3
-
ME866727
-
-
6.6934
467.2807
2,6-diamino-4-hydroxy-5-formamidopyrimidine
-
ME866891
-
-
0.8313
150.0411
2,6-Dichloro-4-nitrophenol
-
ME866907
-
-
0.4494
243.899
27-Hydroxyisomangiferolic acid
-
ME866741
-
-
6.9228
453.3375
28-Norbrassinolide
-
ME866713
-
-
6.4367
447.3119
2-Aminooxybenzoic acid
-
ME866843
-
-
6.0982
152.0344
2beta-Hydroxytestosterone
-
ME866818
-
-
6.2029
349.2021
2-Cyclohexen-1-one
-
ME866674
-
-
5.5778
237.1128
2-Dodecoxyethyl Hydrogen Sulfate
-
ME866748
-
-
7.6686
309.174
(2'E,4'Z,7'Z,8E)-Colnelenic acid
-
ME866733
-
-
6.875
273.1859
2-Hydroxycineol
-
ME866834
-
-
6.1382
215.1284
2-Methoxy-5-nitrophenol
-
ME866860
-
-
5.7058
168.0294
2-(Trifluoromethoxy)anisole
-
ME866858
-
-
5.9125
213.0148
3,4-Dimethylbenzenesulfonic acid
-
ME866872
-
-
4.3054
185.027
3,4-Methylenedioxybenzaldehyde
-
ME866873
-
-
4.2749
149.0234
(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-...
-
ME866914
-
-
6.6296
457.3326
3beta-Hydroxy-5,7-androstadien-17-one
-
ME866743
-
-
7.0915
617.3862
3-Hexen-1-ol
-
ME866842
-
-
6.0982
245.1756
3-hydroxypentadecanoic acid
-
ME866696
-
-
6.2029
303.2176
3-Hydroxysintaxanthin
-
ME866775
-
-
6.6535
937.6434
(3S)-3-hydroxycyclocitral
-
ME866793
-
-
6.4605
381.2269
(3S,6E)-Nerolidol
-
ME866714
-
-
6.4446
267.1964
3'-thiacytidine
-
ME866772
-
-
3.2038
266.0199
3-trans-p-Coumaroylrotundic acid
-
ME866715
-
-
6.4446
633.38
4,4-Dimethyl-2-[3-carboxylatopropyl]-2-tridecyloxa...
-
ME866926
-
-
6.8056
384.3119
4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-d...
-
ME866940
-
-
6.404
487.3432
4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol
-
ME866762
-
-
6.8186
473.3271
4-Decan-4-Ylbenzenesulfonic Acid
-
ME866747
-
-
7.6766
297.1527
4-Hydroxy-3-polyprenylbenzoate
-
ME866937
-
-
6.2269
273.1496
4-Methoxy-1-naphthol
-
ME866929
-
-
6.0355
407.1501
4-(undecan-5-yl)benzene-1-Sulfonic Acid
-
ME866746
-
-
7.7171
311.1685
5,10-Pentadecadien-1-ol
-
ME866794
-
-
6.4446
269.2121
5-(4-Methyl-5-Oxo-2H-Furan-3-Yl)Pentanoic Acid
-
ME866874
-
-
3.8169
197.0813
5-Deoxykievitol
-
ME866852
-
-
5.8418
337.1081
6-beta-hydrocortisol
-
ME866761
-
-
6.8266
423.2025
[6]-Gingerdione
-
ME866694
-
-
6.1869
337.1657
9,10-Epoxyoctadecanoic acid
-
ME866942
-
-
6.4526
313.2383
9-Oxo-11-(3-pentyloxiran-2-YL)undec-10-enoic acid
-
ME866919
-
-
6.396
291.1964
(9Z,12R)-12-Hydroxyoctadec-9-enoic acid
-
ME866782
-
-
6.589
297.2433
Acetyl-DL-Leucine
-
ME866865
-
-
4.6799
172.097
Acetylvalerenolic acid
-
ME866886
-
-
6.1302
291.1601
ACRL Toxin II
-
ME866932
-
-
6.1382
307.1552
Aflatoxin B2
-
ME866691
-
-
6.1302
335.0521
Algestone
-
ME866728
-
-
6.7254
367.189
Alpha-Bisabolol oxide A
-
ME866699
-
-
6.2109
283.1913
Arabinofuranosylguanine
-
ME866783
-
-
1.9077
266.0893
Arbaprostil
-
ME866784
-
-
6.5651
387.217
Arenobufagin
-
ME866755
-
-
6.9069
437.192
Artemorin
-
ME866829
-
-
6.1622
247.1336
AVOCADENE ACETATE
-
ME866716
-
-
6.4925
327.2539
Bolandiol
-
ME866828
-
-
6.1622
321.207
Boldenone
-
ME866765
-
-
6.7493
631.4004
Bufotalin
-
ME866749
-
-
7.2749
443.2474
Cannabigerolate
-
ME866796
-
-
6.404
405.2282
Carbenoxolone
-
ME866732
-
-
6.867
591.3284
Carmofur
-
ME866726
-
-
6.6774
573.25
Chikusetsusaponin Ia
-
ME866924
-
-
6.5251
799.4864
Cibaric acid
-
ME866853
-
-
6.0576
305.1758
Cinncassiol A
-
ME866864
-
-
4.7439
381.1918
Cinncassiol D3
-
ME866836
-
-
6.1142
367.2128
Cis-12-Oxophytodienoic acid
-
ME866816
-
-
6.2349
337.2021
Corchorifatty acid D
-
ME866918
-
-
6.3075
307.1914
Corchorifatty acid F
-
ME866697
-
-
6.2029
327.2176
Cyclopentanecarboxylic acid
-
ME866680
-
-
5.9074
227.1284
Dehydroandrographolide succinate
-
ME866677
-
-
5.8579
553.2083
Deoxyloganic acid
-
ME866668
-
-
3.6124
341.124
Dihydrocorticosterone
-
ME866920
-
-
6.9148
369.2046
Dipropyl-5-CT
-
ME866736
-
-
6.8989
633.4168
Dodecyl Hydrogen Sulfate
-
ME866744
-
-
7.5078
265.1476
Doxercalciferol
-
ME866737
-
-
6.9069
457.3325
Dynorphin A 1-8
-
ME866821
-
-
4.0383
1025.5562
Echinocystic acid
-
ME866725
-
-
6.6614
471.3483
Elatoside G
-
ME866685
-
-
6.0496
709.3818
Ensulizole
-
ME866666
-
-
3.3718
273.0338
Ethyl (S)-3-hydroxybutyrate glucoside
-
ME866672
-
-
5.1268
275.1135
Ezetimibe-glucuronide
-
ME866897
-
-
0.7028
566.1575
Falcarindiol
-
ME866754
-
-
6.9069
519.3485
Frangulanine
-
ME866769
-
-
6.7094
535.3051
Furohyperforin
-
ME866751
-
-
6.9627
551.3796
Ganoderiol I
-
ME866917
-
-
6.867
523.3406
Gibberellin A14
-
ME866893
-
-
6.2349
347.1864
Ginsenoside B2
-
ME866934
-
-
5.9125
991.5511
Ginsenoside C
-
ME866903
-
-
6.1462
829.4974
Ginsenoside F1
-
ME866820
-
-
6.1948
683.4387
Ginsenoside F2
-
ME866921
-
-
6.4605
829.497
Ginsenoside M7cd
-
ME866847
-
-
5.7938
699.4336
Ginsenoside Ra2
-
ME866840
-
-
6.0982
604.3109
Ginsenoside Rb1
-
ME866837
-
-
6.1062
553.295
Ginsenoside Rd
-
ME866911
-
-
6.2429
991.5507
Ginsenoside Rf
-
ME866945
-
-
5.9352
845.4922
Ginsenoside Rh1
-
ME866698
-
-
6.2029
637.433
Ginsenoside Rh2(S-FORM)
-
ME866925
-
-
6.6614
667.4442
Ginsenoside Rh8
-
ME866700
-
-
6.2269
681.4232
Glyceryl 5-hydroxydecanoate
-
ME866896
-
-
6.2755
243.1599
Hexadecyl ferulate
-
ME866684
-
-
6.0496
463.3069
Hexylresorcinol
-
ME866808
-
-
6.3236
433.2595
Hippuryl-histidyl-leucine
-
ME866815
-
-
6.2349
410.1817
H-Tyr-gly-gly-phe-leu-arg-arg-ile-OH
-
ME866933
-
-
5.9231
1025.555
Isopetasoside
-
ME866922
-
-
6.1948
395.2066
Isoprenyl alcohol
-
ME866695
-
-
6.1948
217.144
L-2,3-Dihydrodipicolinate
-
ME866856
-
-
5.9977
168.0294
Lauroyl peroxide
-
ME866766
-
-
6.7493
443.3376
Leptin F
-
ME866869
-
-
6.0656
389.1395
Leptomycin B
-
ME866752
-
-
6.9308
521.3253
Lexacalcitol
-
ME866838
-
-
6.1062
505.3538
Licoricesaponin B2
-
ME866889
-
-
6.1462
807.419
Lycopersiconolide
-
ME866915
-
-
6.7413
723.4851
Mabioside D
-
ME866849
-
-
5.8018
843.4766
Mahanimbinol
-
ME866763
-
-
6.7817
665.4066
Majonoside R1
-
ME866800
-
-
4.7039
861.4873
Majoroside F6
-
ME866841
-
-
4.7599
1007.5456
Matairesinol
-
ME866878
-
-
5.9393
357.1344
Medicagenic acid
-
ME866760
-
-
6.8591
483.3116
Melilotoside B
-
ME866718
-
-
6.5331
797.4704
Methyl 2-Hydroxyisobutyrate
-
ME866879
-
-
3.1878
117.0546
MJDBISSN00000001
-
ME866910
-
-
3.2038
198.032
MJDBISSN00000003
-
ME866909
-
-
6.3641
411.3054
MJDBISSN00000009
-
ME866908
-
-
2.5156
169.1022
Momordin B
-
ME866902
-
-
6.42
677.3925
Monensin A
-
ME866679
-
-
5.8739
715.4287
Mono(glucosyluronic acid)bilirubin
-
ME866805
-
-
6.3316
797.2406
Mukurozidiol
-
ME866686
-
-
6.0656
315.0875
Mutant IDH1 inhibitor
-
ME866923
-
-
6.5651
465.2646
N-(2-Hydroxy-3-methylbutanoyl)leucine
-
ME866676
-
-
5.7938
230.1394
Neocnidolide
-
ME866859
-
-
5.7058
239.1285
Nigakihemiacetal B
-
ME866710
-
-
6.3316
435.1989
N-OCTANOYL-L-HOMOSERINE LACTONE
-
ME866785
-
-
6.5491
499.307
Nonactinic Acid
-
ME866868
-
-
4.5919
201.1125
Notoginsenoside A
-
ME866833
-
-
6.1462
561.2917
Notoginsenoside C
-
ME866857
-
-
5.9674
569.2901
Notoginsenoside J
-
ME866787
-
-
3.9748
879.4977
Notoginsenoside T1
-
ME866683
-
-
6.0184
697.4179
Notoginsenoside T2
-
ME866912
-
-
6.6296
665.4295
PA(20:4(5Z,8Z,11Z,13E)+=O(15)/20:2(11Z,14Z))
-
ME866756
-
-
6.8989
807.476
PA(PGE1/P-16:0)
-
ME866771
-
-
6.7014
751.4494
(+/-)-Pelletierine
-
ME866867
-
-
4.6239
186.1128
Peperinic acid
-
ME866899
-
-
6.0736
363.1817
PE(PGJ2/18:1(9Z))
-
ME866717
-
-
6.5172
816.4765
PG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/20:3(5Z,8Z,11Z)...
-
ME866786
-
-
3.8729
879.498
PG(i-19:0/PGJ2)
-
ME866848
-
-
6.0656
863.5004
PGP(18:0/16:1(9Z))
-
ME866789
-
-
6.5005
827.4814
Phenoxyacetic Acid
-
ME866861
-
-
5.2588
151.0391
PIP(18:0/18:1(9Z))
-
ME866844
-
-
5.7778
989.5352
P-Menthane-3,8-diol
-
ME866706
-
-
6.2915
403.3065
Pomiferin
-
ME866739
-
-
6.9148
401.1424
Prostaglandin D1 Alcohol
-
ME866790
-
-
6.4765
339.2539
PS(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/18:0)
-
ME866832
-
-
6.1462
846.4909
P-Toluenesulfonic Acid
-
ME866877
-
-
3.3158
171.0113
Pyrrhoxanthinol
-
ME866777
-
-
6.6296
605.3082
(R)-2-Hydroxystearic Acid
-
ME866734
-
-
6.875
299.2589
(R+)-3-(4-hydroxyphenyl)lactate
-
ME866688
-
-
6.1062
162.0314
Ramifenazone
-
ME866913
-
-
6.7014
489.3028
Rehmannic acid
-
ME866750
-
-
7.1871
551.3746
(S)-10,16-Dihydroxyhexadecanoic acid
-
ME866807
-
-
6.3316
287.2226
Scyphostatin
-
ME866764
-
-
6.7817
506.2911
Sesamose
-
ME866657
-
-
0.6949
701.1921
SM(d18:2(4E,14Z)/PGJ2)
-
ME866880
-
-
6.1142
815.4815
Soyasapogenol A
-
ME866759
-
-
6.867
455.3532
Strophanthidin
-
ME866791
-
-
6.4685
385.2004
Sugeonol
-
ME866724
-
-
6.6216
467.3168
Tragopogonsaponin A
-
ME866825
-
-
6.1782
693.3869
Triamcinolone acetonide 21-palmitate
-
ME866823
-
-
5.3548
717.4442
Vinaginsenoside R12
-
ME866831
-
-
5.5618
717.4443
Vinaginsenoside R13
-
ME866811
-
-
4.1418
1025.556
Vinaginsenoside R17
-
ME866900
-
-
6.3316
961.5399
Vinaginsenoside R4
-
ME866930
-
-
6.0098
961.5397
VIQUALINE
-
ME866906
-
-
6.5411
665.4057
Xanthoplanine
-
ME866885
-
-
6.1142
391.1551
Xi-3-Methyl-3-cyclohexen-1-ol
-
ME866689
-
-
6.1062
269.1757
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