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Return to study ST001547 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-amino-6-hydroxymethyl-7,7-dimethyl-7,8-dihydropt...
-
ME375277
-
-
10.11086799
-
4-Toluenesulfonamide
Toluene-4-sulfonamide
ME375179
-
C14412
10.11240011
-
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-ca...
-
ME375232
-
C12245
10.12142893
-
Stachydrine
Stachydrine
ME375118
-
C10172
10.19931437
-
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine
-
ME375375
-
-
10.24585139
-
O-Acetylcarnitine
CAR 2:0
ME375245
-
C02571
10.25510003
-
Ala-Gly-Pro
Ala-Gly-Pro
ME375303
-
-
10.26043472
-
L-gamma-glutamyl-L-isoleucine
gamma-Glutamylisoleucine
ME375328
-
-
10.31181522
-
L-Leucine
Leucine
ME375100
-
C00123
10.3359944
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol
-
ME375114
-
C13693
10.41295478
-
L-Kynurenine
Kynurenine
ME375255
-
C00328
10.42062649
-
N-Acetylglutamine
N-Acetylglutamine
ME375216
-
-
10.4346203
-
Inosine
Inosine
ME375337
-
C00294
10.52291667
-
4-fluorotryptophan
-
ME375276
-
-
10.53813341
-
allopurinol
Allopurinol
ME375107
-
D00224
10.55903444
-
Cys-Leu-Cys-Pro
-
ME375444
-
-
10.61401672
-
O-Acetyl-L-homoserine
O-Acetyl-homoserine
ME375160
-
C01077
10.67423001
-
HEPES
-
ME375298
-
-
10.71424401
-
Betaine
Betaine
ME375075
-
C00719
10.79448669
-
2-nitro-1-propanol
-
ME375058
-
-
10.86072235
-
L-Isoleucine
Isoleucine
ME375101
-
C00407
10.86429003
-
Urocanate
Urocanic acid
ME375112
-
C00785
10.86811103
-
5-Hydroxytryptophol
5-Hydroxytryptophol
ME375196
-
-
11.03163189
-
L-Lathyrine
Lathyrine
ME375204
-
C08290
11.04949451
-
Asn-Cys-Cys
Asn-Cys-Cys
ME375406
-
-
11.13881243
-
Anthranilate
2-Aminobenzoic acid
ME375111
-
C00108
11.22855103
-
Riboflavin cyclic-4',5'-phosphate
-
ME375446
-
C16071
11.22943734
-
Ala-Lys-Asn-Pro
-
ME375441
-
-
11.25324164
-
L-Methionine
Methionine
ME375139
-
C00073
11.25988049
-
γ-glutamyl-S-t-propenylcysteine
-
ME375363
-
-
11.32039583
-
Methylenediurea
Methylenediurea
ME375103
-
C06381
11.34144565
-
L-Tryptophan
Tryptophan
ME375247
-
C00078
11.37126545
-
N-Acetyl-D-glucosamine
N-Acetylglucosamine
ME375274
-
C00140
11.38562222
-
(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tet...
-
ME375281
-
C06486
11.41437073
-
Leu-Ala
Leu-Ala
ME375241
-
-
11.4175372
-
CHES
-
ME375254
-
-
11.4333546
-
Cycasin
Cycasin
ME375312
-
C01418
11.43955002
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME375244
-
C12986
11.44500543
-
CysteineMercaptoethanol disulfide
-
ME375230
-
-
11.49538752
-
3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propa...
-
ME375272
-
-
11.58642222
-
Ala-Ala-Ala
Ala-Ala-Ala
ME375291
-
-
11.63363054
-
N-Formimino-L-glutamate
Formiminoglutamic acid
ME375187
-
C00439
11.66459225
-
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME375252
-
C15480
11.72237888
-
Ala-Pro
Ala-Pro
ME375212
-
-
11.822001
-
N-hydroxyisoleucine
N-hydroxyisoleucine
ME375137
-
-
11.82233114
-
Imidazole-4-acetate
Imidazoleacetic acid
ME375090
-
C02835
11.85232374
-
N-α-acetyl lysine methyl ester
-
ME375240
-
-
11.85466792
-
gamma-Glutamyl-gamma-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME375263
-
C15700
11.90630595
-
Acetyl-CoA
Acetyl-CoA
ME375484
-
C00024
11.98739039
-
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
ME375144
-
C00632
11.99557504
-
DL-Methionine sulfone
Methionine sulfone
ME375201
-
-
11.99669588
-
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D...
-
ME375486
-
C04900
12.00457221
-
Ile-Arg
Ile-Arg
ME375358
-
-
12.01399036
-
Leu-Lys
Leu-Lys
ME375327
-
-
12.01966506
-
N(pi)-Methyl-L-histidine
3-Methylhistidine
ME375177
-
C01152
12.06288486
-
L-Valine
Valine
ME375074
-
C00183
12.09412998
-
Glu-Met-Ser
Glu-Met-Ser
ME375420
-
-
12.09480133
-
Glycyl-leucine
Gly-Leu
ME375217
-
C02155
12.26996901
-
7-Methylguanine
7-Methylguanine
ME375166
-
C02242
12.29035136
-
Ile-Ile-Pro
Ile-Ile-Pro
ME375409
-
-
12.36763475
-
Ala-Thr-Ala-Ala
-
ME375403
-
-
12.36967095
-
L-Proline
Proline
ME375067
-
C00148
12.37381219
-
DMSP-amine
-
ME375079
-
-
12.39106394
-
5,6-Dihydrouracil
Dihydrouracil
ME375065
-
C00429
12.4430365
-
dAMP
dAMP
ME375401
-
C00360
12.56911248
-
2-acetamidoglucal
-
ME375243
-
-
12.57941888
-
L-beta-aspartyl-L-leucine
-
ME375309
-
-
12.6113151
-
Methacholine
Methacholine
ME375155
-
C07471
12.65515116
-
4-Trimethylammoniobutanoate
3-Dehydroxycarnitine
ME375128
-
C01181
12.67010559
-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid
(S)-5-Amino-3-oxohexanoate
ME375126
-
C03656
12.68572774
-
L-Carnitine
Carnitine
ME375161
-
C00487
12.7290899
-
Val-Val
Val-Val
ME375264
-
-
12.74958333
-
2,3,4,5-Tetrahydropyridine-2-carboxylate
(S)-1-Piperideine-6-carboxylic acid
ME375091
-
C00450
12.77877001
-
Asn-Gly-Pro
Asn-Gly-Pro
ME375357
-
-
12.80540619
-
4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME375119
-
C04114
12.8434533
-
L-Tyrosine
Tyrosine
ME375202
-
C00082
12.85203342
-
histidine methyl ester
-
ME375176
-
-
12.89624439
-
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME375392
-
C04544
12.95606537
-
Glycylproline
Gly-Pro
ME375181
-
-
12.97962392
-
Ala-Asp-Pro-Pro
-
ME375432
-
-
12.98983959
-
Gln-Pro
Gln-Pro
ME375302
-
-
13.01940418
-
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME375266
-
C15532
13.04309364
-
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME375430
-
C00021
13.04656796
-
Asn-Lys-Cys-Cys
-
ME375451
-
-
13.08682584
-
N,N'-Dimethylurea
N,N-Dimethylurea
ME375048
-
C16364
13.08710876
-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
-
ME375224
-
-
13.1166795
-
D,L-α-methylphosphinothricin
-
ME375228
-
-
13.11710002
-
D-Glutamine
D-Glutamine
ME375129
-
C00819
13.1652044
-
N-Acetyllactosamine
N-Acetyllactosamine
ME375428
-
C00611
13.17491803
-
N,N-Dimethylglycine
Dimethylglycine
ME375056
-
C01026
13.24201002
-
Glu-Lys-Asp-Pro
-
ME375459
-
-
13.30717358
-
Glu-Arg-Pro
Glu-Arg-Pro
ME375433
-
-
13.33949161
-
Proclavaminic acid
Proclavaminic acid
ME375237
-
C06658
13.39951104
-
Ophthalmicacid
Ophthalmic acid
ME375361
-
-
13.40338609
-
3-Butynoate
3-Butynoic acid
ME375045
-
C06144
13.43273817
-
N-Carboxyethyl-g-aminobutyricacid
N-Carboxyethyl-gamma-aminobutyric acid
ME375191
-
-
13.43947788
-
2,3-Dimethylmaleate
Dimethyl maleate
ME375120
-
C00922
13.47555325
-
Asp-Thr-His-His
-
ME375466
-
-
13.4824501
-
Asn-Glu-Ile-Pro
-
ME375453
-
-
13.50670132
-
4-Imidazolone-5-acetate
-
ME375116
-
C05133
13.50775409
-
L-Methionine S-oxide
Methionine sulfoxide
ME375165
-
C02989
13.53802897
-
N2-(D-1-Carboxyethyl)-L-arginine
D-Octopine
ME375310
-
C04137
13.5470538
-
4-Methylumbelliferone glucuronide
4-Methylumbelliferyl glucuronide
ME375417
-
C11584
13.55745002
-
AMP
AMP
ME375413
-
C00020
13.559076
-
Glu-Ala-Arg
Glu-Ala-Arg
ME375423
-
-
13.5642028
-
Cys-His
Cys-His
ME375321
-
-
13.57958874
-
Ala-Lys-Asp-Pro
-
ME375442
-
-
13.62084868
-
D-Sorbitol
Sorbitol
ME375203
-
C00794
13.64636325
-
Isonicotineamide
-
ME375080
-
C02421
13.70715671
-
NAD+
NAD
ME375474
-
C00003
13.73316939
-
sn-glycero-3-Phosphocholine
sn-Glycero-3-phosphocholine
ME375318
-
C00670
13.8420733
-
Asp-Thr-Trp-Pro
-
ME375467
-
-
13.85955692
-
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME375084
-
C03167
13.87585754
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME375173
-
C13482
13.92545276
-
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME375184
-
C03771
13.987559
-
CMP-N-trimethyl-2-aminoethylphosphonate
CMP-2-trimethylaminoethylphosphonate
ME375454
-
C05674
14.02570843
-
1-Pyrroline-2-carboxylate
1-Pyrroline-2-carboxylic acid
ME375062
-
C03564
14.066521
-
Thiamin diphosphate
Thiamine diphosphate
ME375438
-
C00068
14.11000426
-
Met-Met-Met
Met-Met-Met
ME375434
-
-
14.1216529
-
Acetone cyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME375046
-
C02659
14.17277832
-
5,6-Dihydrothymine
Dihydrothymine
ME375093
-
C00906
14.19629666
-
Methylitaconate
-
ME375121
-
C02295
14.24949098
-
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME375311
-
C00669
14.28081394
-
Ala-Ala-Ala-Asp
-
ME375410
-
-
14.28224453
-
Creatine
Creatine
ME375099
-
C00300
14.28296332
-
Cys-Gly
Cys-Gly
ME375197
-
C01419
14.33358089
-
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME375268
-
C03738
14.36119164
-
L-Histidine
Histidine
ME375148
-
C00135
14.39043337
-
Piperidine
Piperidine
ME375047
-
C01746
14.49449782
-
L-Alanine
Alanine
ME375050
-
C00041
14.57333666
-
2'-O-Methyladenosine
2'-O-Methyladenosine
ME375350
-
C04779
14.58322644
-
L-Threonine
Threonine
ME375077
-
C00188
14.59837335
-
1-Caffeoyl-4-deoxyquinic acid
-
ME375407
-
C10432
14.65019167
-
Choline phosphate
Choline phosphate
ME375206
-
C00588
14.65789673
-
N1,N8-diacetylspermidine
N1,N8-Diacetylspermidine
ME375288
-
-
14.66052229
-
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME375127
-
C01035
14.66574015
-
Tetraethylammonium
-
ME375095
-
C07512
14.79715122
-
L-Glutamate
Glutamic acid
ME375135
-
C00025
14.84592448
-
Hypotaurine
Hypotaurine
ME375060
-
C00519
14.88842909
-
Hexylamine
Hexylamine
ME375055
-
C08306
14.94517239
-
L-Glutamine
Glutamine
ME375131
-
C00064
14.98748216
-
CDP-choline
CDP-choline
ME375461
-
C00307
14.99261814
-
Argininicacid
Argininic acid
ME375192
-
-
15.02956427
-
Phosphocreatine
Phosphocreatine
ME375260
-
C02305
15.09412214
-
Gamma-Glutamylglutamine
gamma-Glutamylglutamine
ME375343
-
C05283
15.11183336
-
Thiamin
Thiamine
ME375332
-
C00378
15.18730977
-
Maleamate
Maleamate
ME375066
-
C01596
15.22777218
-
Ala-Gly
Ala-Gly
ME375132
-
-
15.32401001
-
L-Asparagine
Asparagine
ME375102
-
C00152
15.33448771
-
Cys-Cys-Gly
Cys-Cys-Gly
ME375349
-
-
15.43198751
-
Carnosine
Carnosine
ME375280
-
C00386
15.46343189
-
Arbutin 6-phosphate
-
ME375416
-
C06187
15.48110916
-
3-(Pyrazol-1-yl)-L-alanine
3-(Pyrazol-1-yl)-L-alanine
ME375149
-
C01162
15.52038554
-
a Cysteine adduct
-
ME375223
-
-
15.53091541
-
Aspartyl-L-proline
Asp-Pro
ME375290
-
-
15.5359013
-
Esculin
Esculin
ME375408
-
C09264
15.54686534
-
Glu-Cys-Gly
Glu-Cys-Gly
ME375382
-
-
15.58331231
-
Asn-Leu-Asn-Tyr
-
ME375470
-
-
15.586989
-
Guanidinoacetate
Guanidoacetic acid
ME375072
-
C00581
15.59542887
-
L-Citrulline
Citrulline
ME375193
-
C00327
15.59760213
-
Ala-Asp-Gly
Ala-Asp-Gly
ME375329
-
-
15.65700845
-
L-Serine
Serine
ME375059
-
C00065
15.69279548
-
Asp-Met-Asp-Gly
-
ME375445
-
-
15.80163761
-
N-Acetyl-D-glucosaminate
N-acetyl-glucosaminic acid
ME375296
-
C01133
15.80728895
-
Orthophosphate
Phosphoric acid
ME375052
-
C00009
15.91985248
-
NMNH
-
ME375404
-
-
16.02908876
-
CMP
CMP
ME375395
-
C00055
16.0951472
-
D-myo-Inositol 1,2-cyclic phosphate
Inositol cyclic phosphate
ME375301
-
C04299
16.13303053
-
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid...
-
ME375340
-
-
16.24476666
-
L-Cystine
Cystine
ME375299
-
C00491
16.27363699
-
D-Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME375178
-
C00118
16.29247903
-
Asp-Thr-Cys-Cys
-
ME375447
-
-
16.47900446
-
Ala-Asn-Ser
Ala-Asn-Ser
ME375364
-
-
16.6025667
-
Neuraminic acid
Neuraminic acid
ME375335
-
C06469
16.64581672
-
Folate
Folic acid
ME375448
-
C00504
16.80055567
-
Glu-Glu
Glu-Glu
ME375345
-
C01425
16.80729175
-
Ala-Asp-Cys
Ala-Asp-Cys
ME375381
-
-
16.82515889
-
Triacetate lactone
-
ME375089
-
C02752
16.86641016
-
Asp-Cys-Cys-Ser
S-Glutathionyl-cysteine
ME375440
-
-
16.93600006
-
D-Glutamate
D-Glutamic acid
ME375134
-
C00217
16.99484443
-
Glu-Thr-Thr
Glu-Thr-Thr
ME375414
-
-
17.02681953
-
Ala-Ala-Asp-Cys
-
ME375426
-
-
17.09663641
-
Ile-Lys-Ser
Ile-Lys-Ser
ME375412
-
-
17.178125
-
Asp-Gly-Arg
Asp-Gly-Arg
ME375411
-
-
17.38000014
-
(1-Ribosylimidazole)-4-acetate
Imidazoleacetic acid riboside
ME375322
-
C05131
17.47787882
-
Ala-Ala-Ala-Ser
-
ME375391
-
-
17.48497213
-
N5-(L-1-Carboxyethyl)-L-ornithine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME375249
-
C04210
17.54010583
-
Gammaglutamylornithine
gamma-Glutamylornithine
ME375330
-
-
17.63640289
-
Arg-Asp-Asp-Gly
-
ME375450
-
-
17.72828776
-
Epsilon-(gamma-Glutamyl)-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME375344
-
-
17.77826945
-
Asp-Arg
Asp-Arg
ME375362
-
-
17.79343041
-
Glu-Arg
Glu-Arg
ME375379
-
-
17.8030972
-
D-Glucono-1,5-lactone 6-phosphate
6-Phosphonoglucono-D-lactone
ME375320
-
C01236
17.91920802
-
Ala-Leu-Thr-Ala
-
ME375214
-
-
18.27794427
-
N-Glycolyl-D-glucosamine
N-Glycolyl-D-glucosamine
ME375297
-
C03146
18.65020837
-
Convicine
Convicine
ME375380
-
C08430
18.7676668
-
D-Histidine
D-Histidine
ME375147
-
C06419
19.13148858
-
N3-hydroxyethylcytosine
-
ME375146
-
-
19.87933336
-
Ile-Lys
Ile-Lys
ME375326
-
-
20.02373606
-
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine
3-Hydroxy-N6,N6,N6-trimethyl-lysine
ME375250
-
C01259
20.04951392
-
5-Methyltetrahydropteroylpentaglutamate
-
ME375460
-
-
20.09322238
-
Cys-Lys-Cys-His
-
ME375462
-
-
20.09873606
-
Ile-Lys-Pro
Ile-Lys-Pro
ME375419
-
-
20.44234704
-
psicoselysine
Psicosyllysine
ME375384
-
-
20.78304172
-
Ne,Ne dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME375189
-
C05545
21.00148824
-
NG,NG-Dimethyl-L-arginine
Dimethylarginine
ME375242
-
C03626
21.04224984
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME375220
-
C03793
21.13997803
-
Lys-Val
Lys-Val
ME375308
-
-
21.34422234
-
Asp-Gln-Gln-Pro
-
ME375458
-
-
21.38154161
-
L-Ornithine
Ornithine
ME375104
-
C00077
21.81328898
-
N6-Methyl-L-lysine
N(6)-Methyllysine
ME375158
-
C02728
21.9702823
-
Homoarginine
Homoarginine
ME375219
-
C01924
22.29261108
-
meso-2,6-Diaminoheptanedioate
-
ME375222
-
C00680
22.37043067
-
Lys-Ala-Pro
Lys-Ala-Pro
ME375389
-
-
22.39138862
-
L-Lysine
Lysine
ME375133
-
C00047
22.42683336
-
L-Arginine
Arginine
ME375188
-
C00062
23.77555528
-
Cys-Lys-Phe-Trp
-
ME375472
-
-
23.85022193
-
tropine
Pseudotropine
ME375115
-
C00729
27.61797784
-
Betaine aldehyde
Betaine aldehyde
ME375054
-
C00576
27.75237793
-
Trimethylaminoacetone
Trimethylaminoacetone
ME375068
-
-
27.85067776
-
Spinosyn A
Spinosyn A
ME375478
-
C11054
3.537824453
-
1-4-beta-D-Glucan
1,4-beta-D-Glucan
ME375471
-
C00760
3.561167789
-
PE(P-36:4)
PE P-36:4
ME375477
-
C00350
3.646169968
-
Bis(2-ethylhexyl)phthalate
Bis(2-ethylhexyl)phthalate
ME375431
-
C03690
3.658897773
-
Diisononyl phthalate
Diisononyl phthalate
ME375436
-
C15221
3.679994439
-
PC(36:2)
PC 36:2
ME375483
-
-
3.682086097
-
Delcosine
Delcosine
ME375449
-
C08676
3.691124454
-
Methyl acetyl ricinoleate
-
ME375418
-
C12280
3.698153314
-
Cicutoxin
Cicutoxin
ME375323
-
C08402
3.70622779
-
PC(34:2)
PC 34:2
ME375481
-
-
3.708469454
-
PC(P-34:0)
PC P-34:0
ME375480
-
-
3.713572205
-
PC(32:1)
PC 32:1
ME375479
-
C00157
3.716104147
-
[FA hydroxy(18:2)] 13S-hydroxy-9Z,11E-octadecadien...
13S-HODE
ME375369
-
C14762
3.717260013
-
5-O-Methylembelin
5-O-Methylembelin
ME375385
-
C10373
3.741424442
-
FA oxo(19:0)
-
ME375388
-
-
3.746481103
-
PA(P-42:2)
PA P-42:2
ME375482
-
-
3.748830583
-
Rapanone
Rapanone
ME375394
-
C10399
3.753492211
-
2-Ethylhexyl phthalate
Monoethylhexyl phthalic acid
ME375347
-
C03343
3.764584418
-
[FA methoxy,hydroxy(18:2)] octadecadienoic acid
Octadecadienoic acid
ME375397
-
-
3.805827789
-
SM(d18:1/24:1(15Z))
SM 18:1;O2/24:1(15Z)
ME375485
-
C00550
3.808030574
-
14-Dihydroxycornestin
Cornexistin
ME375383
-
C08483
3.80880444
-
[FA methyl,hydroxy,oxo(5:2/4:0)] methyl 4-[2-(2-fo...
Butyric acid
ME375314
-
-
3.808882192
-
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
-
ME375256
-
C04561
3.825969984
-
Tributyl phosphate
Tributyl phosphate
ME375334
-
C14439
3.830982208
-
Dinor-PGE2
Dinor-PGE2
ME375396
-
-
3.834052209
-
3-Butylidene-7-hydroxyphthalide
Phthalide
ME375246
-
C09921
3.836067776
-
Precocene 2
Precocene II
ME375273
-
C09018
3.839045563
-
ubiquinol-1
-
ME375313
-
-
3.841055552
-
[SP] Pramanicin
Pramanicin
ME375422
-
-
3.842081095
-
Montanin A
Montanin A
ME375387
-
C09136
3.844081099
-
Myristoylglycine
N-Myristoylglycine
ME375356
-
-
3.846097802
-
ML-236C
ML 236C
ME375365
-
C14043
3.847104441
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME375367
-
C04875
3.853114421
-
MG(0:0/16:0/0:0)
MG 0:0/16:0/0:0
ME375400
-
-
3.861226671
-
homodihydrocapsaicin
-
ME375393
-
-
3.865197771
-
[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one
Androsterone
ME375366
-
C00523
3.869283295
-
3-Ketosphingosine
3-Ketosphingosine
ME375374
-
C06121
3.879101181
-
dihydroartemisinic acid hydroperoxide
-
ME375338
-
-
3.882351125
-
Octadecanamide
Stearamide
ME375353
-
C13846
3.885370009
-
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydrox...
-
ME375359
-
-
3.886302219
-
6-Hydroxytremetone
-
ME375269
-
C08744
3.895423364
-
[FA (18:1)] 9Z-octadecenamide
Oleamide
ME375351
-
-
3.916569994
-
15-Keto-prostaglandinE2
15-Keto-PGE2
ME375415
-
C04707
3.92670222
-
SM(d34:1)
SM 34:1;O2
ME375476
-
-
3.934391041
-
Palmiticamide
Palmitamide
ME375316
-
-
3.942797784
-
[SP (3:0)] sphinga-4E,8E,10E-trienine
(4E,8E,10E-18:3;O2) Sphingosine
ME375368
-
-
3.946824443
-
Linoleamide
Linoleamide
ME375348
-
-
3.951853349
-
SM(d32:1)
SM 32:1;O2
ME375475
-
-
3.965279155
-
Eugenol methyl ether
Methyleugenol
ME375200
-
C10454
3.981112247
-
Mukaadial
Mukaadial
ME375333
-
C09702
3.982148878
-
3-Oxo-delta4-steroid
Androst-4-en-3-one
ME375341
-
C00619
4.004293365
-
Methyl cinnamate
Methyl cinnamate
ME375162
-
C06358
4.019456685
-
[ST (2:0)] 5alpha-androstane-3,17-dione
Androstanedione
ME375360
-
C00674
4.025566678
-
3-Oxosteroid
-
ME375342
-
C01876
4.066238912
-
Hexanoylcarnitine
CAR 6:0
ME375325
-
-
4.078128899
-
2-Hexenoylcarnitine
CAR 6:1
ME375319
-
-
4.087187788
-
4-Hydroxycinnamyl aldehyde
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME375138
-
C05608
4.104676666
-
FA oxo(7:0)
-
ME375122
-
-
4.111524421
-
N-(3-oxooctanoyl)-L-homoserine
-
ME375324
-
-
4.119652167
-
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid
-
ME375282
-
-
4.126758881
-
Aspidinol
Aspidinol
ME375278
-
C10673
4.127791121
-
Carpacin
Carpacin
ME375226
-
C10435
4.129800025
-
4-Propylphenol
4-Propylphenol
ME375110
-
C14311
4.133003354
-
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate
-
ME375248
-
C04586
4.150271098
-
(2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanon...
-
ME375170
-
-
4.16960222
-
(-)-Jasmonic acid
Jasmonic acid
ME375259
-
C08491
4.171478882
-
7,8-diketopelargonate
-
ME375211
-
-
4.180642175
-
LysoPC(18:1)
LPC 18:1
ME375468
-
-
4.181914109
-
Traumatic acid
Traumatic acid
ME375284
-
C16308
4.183761105
-
3-oxopimelic acid
-
ME375186
-
-
4.224621107
-
[PC(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...
LPC P-16:0 or LPC O-16:1
ME375455
-
C04230
4.230449973
-
Sinapyl alcohol
Sinapyl alcohol
ME375258
-
C02325
4.26035336
-
LysoPC(16:0)
LPC 16:0
ME375464
-
C04230
4.270967865
-
LysoPC(16:1(9Z))
LPC 16:1(9Z)
ME375463
-
C04230
4.27254164
-
Undecanoylcholine
Undecanoylcholine
ME375339
-
-
4.290231171
-
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...
LPC O-16:0
ME375457
-
C13903
4.301229448
-
Dimethyl citraconate
-
ME375152
-
C05126
4.303442162
-
Isovalerylcarnitine
CAR 4:0;3Me
ME375306
-
-
4.361217787
-
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosph...
LPC 14:0
ME375452
-
C04230
4.390986082
-
[SP (14:0)] 1-deoxy-tetradecasphinganine
Xestoaminol C
ME375289
-
-
4.392074415
-
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME375236
-
C04067
4.435361125
-
Cyclohexane-1,3-dione
Cyclohexane-1,3-dione
ME375061
-
C01066
4.441533339
-
acidomycin
-
ME375265
-
-
4.464258342
-
[PR] Iridotrial
Iridotrial
ME375205
-
C06070
4.477718947
-
Millettone
Millettone
ME375425
-
C10506
4.499256897
-
6-Keto-decanoylcarnitine
CAR 10:0;6oxo
ME375399
-
-
4.531434486
-
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid
4,7-Dioxo-octanoic acid
ME375180
-
-
4.551195543
-
[PC(12:4)] 1-hexyl-2-hexyl-sn-glycero-3-phosphocho...
-
ME375439
-
-
4.554961141
-
Dihydro-4,4-dimethyl-2,3-Furandione
2-Dehydropantolactone
ME375092
-
C01125
4.5614367
-
Melochinone
Melochinone
ME375402
-
C10727
4.56261389
-
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate
Vanylglycol
ME375210
-
C04535
4.57072781
-
Capryloylglycine
Capryloylglycine
ME375234
-
-
4.577898899
-
[SP] Sphing-4-enine
Sphingosine
ME375376
-
C00319
4.579385613
-
1,3,5-trimethoxybenzene
1,3,5-Trimethoxybenzene
ME375171
-
D01792
4.579945577
-
N(alpha)-t-Butoxycarbonyl-L-leucine
-
ME375292
-
C04301
4.585117832
-
N-Heptanoylglycine
N-Heptanoylglycine
ME375215
-
-
4.599710083
-
2-Oxopentanoic acid
2-Oxovaleric acid
ME375069
-
C06255
4.697269999
-
Sojagol
-
ME375405
-
C10529
4.697444534
-
o-Methoxyphenol
-
ME375085
-
C01502
4.707338901
-
N-Methyl-2-pyrrolidinone
2-Pyrrolidinone
ME375053
-
C11118
4.742624376
-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
3-Deoxyvitamin D3
ME375421
-
-
4.746463369
-
Caffeine
Caffeine
ME375227
-
C07481
4.828216722
-
3-amino-isobutanoic acid
3-Aminoisobutanoic acid
ME375057
-
-
4.913626675
-
Vincristine
-
ME375487
-
C07204
4.954369701
-
indigo
-
ME375331
-
-
5.030674405
-
Ibuprofenacylglucuronide
-
ME375427
-
-
5.051637845
-
2-Phenyl-1,3-propanediol monocarbamate
-
ME375229
-
C16586
5.23869767
-
Nicotine
Nicotine
ME375163
-
C00745
5.253432109
-
3-Methyl-2-oxobutanoic acid
Ketoisovaleric acid
ME375071
-
C00141
5.375936686
-
5-Oxopentanoate
Glutarate semialdehyde
ME375070
-
C03273
5.913207906
-
D-Thevetose
-
ME375199
-
C16287
5.949350009
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME375371
-
C00170
6.009649997
-
E-pyridine-3-aldoxime
-
ME375082
-
-
6.07853892
-
N4-Acetylaminobutanal
N4-Acetylaminobutanal
ME375094
-
C05936
6.220377808
-
L-Pyrrolysine
-
ME375315
-
C16138
7.251297709
-
[PC(16:0)] 1-hexadecanoyl-sn-glycero-3-phosphochol...
LPC 16:0
ME375465
-
C04230
7.303348584
-
LysoPC(18:1(11Z))
LPC 18:1(11Z)
ME375469
-
C04230
7.313981459
-
N-Decanoylglycine
N-Decanoylglycine
ME375287
-
-
7.319178908
-
6-isobutyl-4-hydroxy-2-pyrone
-
ME375172
-
-
7.320614421
-
Elaeokanine C
Elaeokanine C
ME375261
-
C10592
7.322330051
-
3-Aminobenzenesulfonate
-
ME375182
-
C06334
7.367491659
-
[PC methyl(15:2)] 1-pentadecyl-2-methyl-sn-glycero...
-
ME375456
-
-
7.399110413
-
beta-D-Digitalopyranose
Digitalose
ME375198
-
C08235
7.437375522
-
(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate
-
ME375156
-
C04687
7.439456618
-
allylcysteine
S-Allylcysteine
ME375159
-
C16759
7.444227727
-
5'-methylthioformycin
-
ME375370
-
-
7.455627738
-
Farrerol
Farrerol
ME375377
-
C09734
7.455631892
-
Acetylpseudotropine
-
ME375209
-
C12453
7.455736593
-
Ile-Ala
Ile-Ala
ME375239
-
-
7.459430525
-
2 -(Butylamido)-4-hydroxybutanoic acid
-
ME375221
-
C11843
7.461816678
-
Methylimidazole acetaldehyde
Methylimidazole acetaldehyde
ME375086
-
C05827
7.468922221
-
Daminozide
Daminozide
ME375157
-
C10996
7.469716687
-
(-)-erythro-(2R,3R)-dihydroxybutylamide
-
ME375076
-
C11108
7.471052806
-
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME375307
-
-
7.474534571
-
Picolinamide
Picolinamide
ME375081
-
C01950
7.478190036
-
Nalpha-Methylhistidine
N-Methylhistidine
ME375175
-
C03298
7.481452857
-
ε-aminocaproamide
N-Acetylputrescine
ME375097
-
-
7.483467814
-
MOPS
-
ME375257
-
-
7.50223028
-
[SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol
-
ME375378
-
-
7.51312222
-
CTAB
-
ME375354
-
C11275
7.516019004
-
Ile-Thr
Ile-Thr
ME375294
-
-
7.523925018
-
L-Adrenaline
Epinephrine
ME375208
-
C00788
7.538138072
-
[SP hydrox] 4-hydroxysphinganine
Phytosphingosine
ME375390
-
C12144
7.552368037
-
3-nitro-2-pentanol
-
ME375105
-
-
7.554202203
-
S-(2-Hydroxyethyl)-N-acetyl-L-cysteine
N-Acetyl-S- (2-hydroxyethyl)-cysteine
ME375253
-
C14876
7.571704144
-
Leu-Pro
Leu-Pro
ME375285
-
-
7.607132161
-
3-Ureidoisobutyrate
Ureidoisobutyric acid
ME375130
-
C05100
7.613017782
-
2-O-Methylcytosine
2-O-Methylcytosine
ME375087
-
-
7.613062134
-
3,4-Dehydrothiomorpholine-3-carboxylate
-
ME375123
-
C04445
7.645034705
-
Nicotinate
Nicotinic acid
ME375083
-
C00253
7.732696669
-
Pyridoxine
Pyridoxine
ME375174
-
C00314
7.764892869
-
Caproylcholine
Caproylcholine
ME375235
-
-
7.770865512
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME375143
-
C05842
7.853006166
-
6-Acetamido-2-oxohexanoate
2-Keto-6-acetamidocaproic acid
ME375213
-
C05548
7.878128832
-
Pyridoxal
Pyridoxal
ME375169
-
C00250
7.879215283
-
2-hydroxypurine
-
ME375108
-
-
7.880502786
-
Arecoline
Arecoline
ME375150
-
C10129
7.891403368
-
N4-Acetylcytidine
N4-Acetylcytidine
ME375355
-
-
7.914480548
-
N-Acetyl-L-leucine
N-Acetylleucine
ME375185
-
C02710
7.932228902
-
Indolelactate
Indolelactic acid
ME375251
-
C02043
7.996161058
-
carbidopa
-
ME375279
-
-
8.029691611
-
Riboflavin
Riboflavin
ME375424
-
C00255
8.036040285
-
CHAPS
CHAPS
ME375473
-
C11321
8.066832309
-
O-Butanoylcarnitine
CAR 4:0
ME375293
-
C02862
8.077142373
-
N2-N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME375386
-
-
8.168134774
-
1-Methylhypoxanthine
1-Methylhypoxanthine
ME375141
-
-
8.193941667
-
8-Oxocoformycin
-
ME375352
-
C02243
8.195005629
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME375218
-
C02727
8.200470005
-
Alliin
Alliin
ME375195
-
C08265
8.204255591
-
N,N-dihydroxyisoleucine
-
ME375164
-
-
8.269102207
-
6-(Allylthio)purine
-
ME375225
-
C15348
8.342344411
-
Pantothenate
Pantothenic acid
ME375270
-
C00864
8.346988864
-
L-Normetanephrine
Normetanephrine
ME375207
-
C05589
8.46270712
-
Maleimide
Maleimide
ME375051
-
C07272
8.482051341
-
Urethane
Ethyl carbamate
ME375049
-
C01537
8.542588764
-
Adenosine
Adenosine
ME375336
-
C00212
8.554798855
-
Biotin
Biotin
ME375304
-
C00120
8.560797119
-
N-Acetyl-L-histidine
N-Acetylhistidine
ME375231
-
C02997
8.611347283
-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
ME375317
-
C15497
8.644892968
-
Ala-Met-Thr-Pro
-
ME375435
-
-
8.661695862
-
Dethiobiotin
Dethiobiotin
ME375262
-
C01909
8.723384458
-
CAPS
-
ME375275
-
-
8.726067708
-
Asn-Val-Asn-Ser
-
ME375443
-
-
8.75193339
-
S-[(E)-Prop-1-enyl]-L-cysteine S-oxide
-
ME375194
-
C08295
8.777029165
-
Ala-Leu-Met-Ser
-
ME375437
-
-
8.822794041
-
gamma-Glutamyl-beta-aminopropiononitrile
gamma-Glutamyl-beta-aminopropiononitrile
ME375233
-
C06114
8.84858195
-
6-Amino-2-oxohexanoate
2-Keto-6-aminocaproate
ME375125
-
C03239
8.8560102
-
Glu-Met
Glu-Met
ME375346
-
-
8.867999988
-
L-Glutamate 5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME375098
-
C01165
8.92996894
-
5-Acetamidopentanoate
5-Acetamidovaleric acid
ME375154
-
C03087
8.938116726
-
alpha-aminopimelate
-
ME375190
-
-
8.972439982
-
Octylamine
Octylamine
ME375096
-
C01740
9.020734456
-
4-Methylene-L-glutamine
4-Methylene-glutamine
ME375153
-
C01109
9.043693305
-
O-Propanoylcarnitine
CAR 3:0
ME375267
-
C03017
9.048679824
-
Guanine
Guanine
ME375142
-
C00242
9.053230873
-
(3S,5S)-carbapenam
-
ME375145
-
-
9.078596351
-
Psicofuranin
Angustmycin C
ME375373
-
C05342
9.122195774
-
Adenine
Adenine
ME375106
-
C00147
9.125912069
-
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME375183
-
C01250
9.16271776
-
Slaframine
Slaframine
ME375300
-
C06185
9.182609931
-
L-isoleucyl-L-proline
Ile-Pro
ME375286
-
-
9.323722621
-
3-Methylguanine
3-Methylguanine
ME375167
-
C02230
9.356516605
-
Creatinine
Creatinine
ME375064
-
C00791
9.361862115
-
3',5'-Cyclic AMP
3',5' cyclic AMP
ME375398
-
C00575
9.381386227
-
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME375113
-
C05828
9.389235636
-
Homostachydrine
(S)-Homostachydrine
ME375151
-
C08283
9.445258925
-
3-nitro-2-butanol
-
ME375078
-
-
9.475205553
-
Vinylacetylglycine
Vinylacetylglycine
ME375117
-
-
9.477400174
-
(S)-1-Pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME375063
-
C03912
9.480213352
-
Ethylphosphate
Ethylphosphate
ME375088
-
-
9.504375034
-
1-methylguanosine
1-Methylguanosine
ME375372
-
-
9.519191488
-
3-Methyleneoxindole
3-Methyleneoxindole
ME375124
-
C02796
9.586634572
-
L-Formylkynurenine
N-Formyl-L-kynurenine
ME375295
-
C02700
9.592067973
-
Coprine
Coprine
ME375238
-
C08271
9.729145728
-
AMCC
N-Acetyl-S-(n-methylcarbamoyl)cysteine
ME375271
-
C11490
9.731761169
-
2-Oxo-4-hydroxy-5-aminovalerate
-
ME375136
-
C05941
9.750146688
-
N,N-dihydroxyvaline
-
ME375140
-
-
9.755646634
-
Indole
Indole
ME375073
-
C00463
9.766756948
-
Ile-Asn
Ile-Asn
ME375305
-
-
9.779355537
-
L-Phenylalanine
Phenylalanine
ME375168
-
C00079
9.783779975
-
Deoxycytidine
Deoxycytidine
ME375283
-
C00881
9.821994273
-
D-Apiitol
Apiitol
ME375109
-
C01569
9.95985338
-
Thr-Thr-Tyr
Thr-Thr-Tyr
ME375429
-
-
9.979600109
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
5-Oxoproline
Pyroglutamic acid
ME375536
-
C01879
10.25915561
-
4-methylthiobutanaldoxime
4-Methylthiobutanaldoxime
ME375546
-
C17241
10.29364878
-
formyl-isoglutamine
-
ME375637
-
C16674
10.34487036
-
Orotate
Orotic acid
ME375591
-
C00295
10.47026539
-
4-(beta-D-Glucosyloxy)benzoate
-
ME375814
-
C03993
10.5469242
-
Ethyladipicacid
-
ME375638
-
-
10.54809435
-
L-Aspartate 4-semialdehyde
Aspartate-semialdehyde
ME375519
-
C00441
10.6597621
-
gamma-Glutamyl-beta-aminopropiononitrile
gamma-Glutamyl-beta-aminopropiononitrile
ME375692
-
C06114
10.66664717
-
Met-Thr-Pro
Met-Thr-Pro
ME375852
-
-
10.6880212
-
2',3'-Cyclic UMP
2',3' cyclic UMP
ME375824
-
C02355
10.6880348
-
O-Acetyl-L-serine
O-Acetylserine
ME375570
-
C00979
10.69444878
-
Miroestrol
-
ME375865
-
C08831
10.72032277
-
4-Oxoglutaramate
4-Oxoglutaramic acid
ME375563
-
C05572
10.72750332
-
(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
-
ME375595
-
C04670
10.78569221
-
L-gamma-glutamyl-L-isoleucine
gamma-Glutamylisoleucine
ME375776
-
-
10.83215001
-
dihydrocamalexate
-
ME375758
-
-
10.83481394
-
Azelaic acid
Azelaic acid
ME375668
-
C08261
10.83955661
-
2-Octenedioicacid
2-Octenedioic acid
ME375627
-
-
10.91965983
-
3-deoxy-D-galactose
3-Deoxygalactose
ME375613
-
-
10.93684582
-
Ile-Ala-Ser
Ile-Ala-Ser
ME375802
-
-
11.00613892
-
3-Dehydroquinate
3-Dehydroquinate
ME375671
-
C00944
11.10217882
-
L-gamma-glutamyl-L-leucine
gamma-Glutamylleucine
ME375777
-
-
11.1704695
-
FMN
FMN
ME375901
-
C00061
11.18611959
-
FAD
FAD
ME375947
-
C00016
11.23751255
-
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquin...
-
ME375801
-
C05253
11.32172879
-
5-Hydroxymethyldeoxycytidylate
-
ME375847
-
C03997
11.32711529
-
Xanthine
Xanthine
ME375578
-
C00385
11.33808777
-
nocardicin F
-
ME375880
-
C17354
11.39711253
-
L-Erythrulose
Erythrulose
ME375526
-
C02045
11.48038425
-
Erythritol
Erythritol
ME375530
-
C00503
11.60952216
-
Imidazol-5-yl-pyruvate
-
ME375586
-
C03277
11.68500339
-
Pseudouridine
Pseudouridine
ME375754
-
C02067
11.72722058
-
D-Alanyl-D-alanine
D-Alanyl-D-Alanine
ME375602
-
C00993
11.84306993
-
Hydroxyacetone phosphate
Hydroxyacetone phosphate
ME375585
-
C03505
11.87088343
-
Ala-Glu-Asn-Glu
-
ME375902
-
-
11.93226207
-
N5-acetyl-N5-hydroxy-L-ornithine
2,6-Diaminopimelic acid
ME375675
-
-
11.9736318
-
2,5-Dioxopentanoate
-
ME375537
-
C00433
12.01583333
-
L-Arabinose
Lyxose
ME375575
-
C00259
12.01842326
-
Asp-Thr-Cys-Tyr
-
ME375913
-
-
12.10020151
-
His-Met-Phe-Phe
-
ME375930
-
-
12.10382114
-
Glu-Met
Glu-Met
ME375791
-
-
12.11449712
-
S-Methyl-5-thio-D-ribose 1-phosphate
5-Methylthioribose 1-phosphate
ME375772
-
C04188
12.12406029
-
S-(Formylmethyl)glutathione
S-(Formylmethyl)glutathione
ME375853
-
C14871
12.15247913
-
Maleic acid
Maleic acid
ME375513
-
C01384
12.17602668
-
Guanosine
Guanosine
ME375798
-
C00387
12.29776953
-
D-Ribose
Ribose
ME375574
-
C00121
12.42005439
-
Ala-Ala-Gly
Ala-Ala-Gly
ME375724
-
-
12.45511431
-
D-Glycerate
Glyceric acid
ME375505
-
C00258
12.4727967
-
(R)-S-Lactoylglutathione
S-Lactoylglutathione
ME375872
-
C03451
12.52749015
-
3-(Pyrazol-1-yl)-L-alanine
3-(Pyrazol-1-yl)-L-alanine
ME375589
-
C01162
12.58718011
-
2',3'-Cyclic CMP
2',3' cyclic CMP
ME375823
-
C02354
12.65455975
-
Ala-Ser
Ala-Ser
ME375649
-
-
12.66387363
-
Erythronicacid
Erythronic acid
ME375550
-
-
12.68112332
-
Glu-Glu-Met
Glu-Glu-Met
ME375884
-
-
12.68605143
-
N-acetyl -D- glucosaminitol
N-Acetyl-glucosaminitol
ME375734
-
-
12.68998049
-
GDP-3,6-dideoxy-D-galactose
GDP-3,6-dideoxy-D-galactose
ME375927
-
C05136
12.70171526
-
CDP-N-methyl-L-glucosamine
-
ME375928
-
C06592
12.7017278
-
Xylitol
Xylitol
ME375580
-
C00379
12.72988812
-
L-Hypoglycin
-
ME375556
-
C08287
12.73905124
-
Asn-Asn-Pro
Asn-Asn-Pro
ME375851
-
-
12.75190457
-
Orotidine
Orotidine
ME375800
-
-
12.81699583
-
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid
ME375804
-
C04580
12.84061254
-
Met-Val-His
Met-Val-His
ME375874
-
-
12.88346651
-
3-Phosphonopyruvate
-
ME375616
-
C02798
12.91971047
-
D-Erythrose 4-phosphate
Erythrose 4-phosphate
ME375693
-
C00279
12.92740546
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME375759
-
C03274
13.05683899
-
N-Acetylornithine
N-Acetylornithine
ME375641
-
C00437
13.06194372
-
Asn-Met-Cys-Pro
-
ME375903
-
-
13.06520608
-
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
-
ME375673
-
C04546
13.06668559
-
Glycerol 1,2-cyclic phosphate
-
ME375583
-
C03947
13.08530697
-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...
Threonic acid
ME375549
-
C01620
13.09517117
-
Acetoacetate
Acetoacetic acid
ME375497
-
C00164
13.10003445
-
Met-Thr-Asp
Met-Thr-Asp
ME375866
-
-
13.19469172
-
Urate
Uric acid
ME375619
-
C00366
13.24768931
-
NADH
NADH
ME375938
-
C00004
13.26011531
-
Cys-Lys-Gly-Pro
-
ME375882
-
-
13.28969551
-
N-((R)-Pantothenoyl)-L-cysteine
-
ME375837
-
C04079
13.3068954
-
1-O-Methyl-myo-inositol
-
ME375685
-
C03659
13.33015015
-
Quinate
Quinic acid
ME375680
-
C00296
13.35879211
-
3-Ethylmalate
-
ME375607
-
C01989
13.36646227
-
CoA
Coenzyme A
ME375945
-
C00010
13.36804869
-
P-DPD
-
ME375711
-
-
13.37916523
-
N5-formyl-N5-hydroxy-L-ornithine
-
ME375650
-
-
13.43516405
-
2-Hydroxy-2,4-pentadienoate
2-Hydroxypenta-2,4-dienoic acid
ME375512
-
C00596
13.43539001
-
2,7-Anhydro-alpha-N-acetylneuraminic acid
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME375805
-
C04521
13.47935545
-
D-Galactose
Galactose
ME375656
-
C00124
13.50157884
-
Phthalate
Phthalic acid
ME375609
-
C01606
13.51509223
-
L-Fucose 1-phosphate
Fucose 1-phosphate
ME375753
-
C02985
13.52251129
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME375828
-
C00270
13.66679484
-
3-Deoxy-D-glycero-D-galacto-2-nonulosonicacid
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
ME375784
-
-
13.69011671
-
D-Xylonate
Xylonic acid
ME375611
-
C00502
13.76372789
-
Propanoyl phosphate
Propanoyl phosphate
ME375584
-
C02876
13.82128745
-
Cys-Lys-Met-His
-
ME375917
-
-
13.84547729
-
dehypoxanthine futalosine
Dehypoxanthine futalosine
ME375809
-
C17010
13.92221256
-
sn-glycerol-1-phosphate
-
ME375624
-
C00623
13.9230422
-
S-(3-oxo-3-carboxy-n-propyl)cysteine
S-(3-Oxo-3-carboxy-n-propyl)cysteine
ME375728
-
-
13.92993054
-
Thr-Ala
Thr-Ala
ME375674
-
-
13.9477389
-
N-Acetyl-D-mannosaminolactone
N-Acetylmannosaminolactone
ME375727
-
C03776
13.99906079
-
dADP
dADP
ME375886
-
C00206
14.0284111
-
(S)(+)-Allantoin
Allantoin
ME375594
-
C02350
14.1433236
-
Monomethyl sulfate
Methyl sulfate
ME375506
-
C02704
14.14396884
-
L-Histidinol phosphate
L-Histidinol phosphate
ME375729
-
C01100
14.25468336
-
D-Erythrose
Erythrose
ME375525
-
C01796
14.25475227
-
N-Acetyl-L-glutamate
N-Acetylglutamic acid
ME375670
-
C00624
14.26361003
-
2-C-Methyl-D-erythritol 4-phosphate
-
ME375719
-
C11434
14.31385469
-
Glutathione
Glutathione
ME375826
-
C00051
14.32500434
-
2-Oxobutanoate
3-Methyl pyruvic acid
ME375498
-
C00109
14.35461222
-
N,N'-Dimethylurea
N,N-Dimethylurea
ME375490
-
C16364
14.35891067
-
D-Gluconic acid
Gluconic acid
ME375688
-
C00257
14.35935567
-
L-1-Pyrroline-3-hydroxy-5-carboxylate
-
ME375535
-
C04281
14.51220554
-
Hydroxymethylphosphonate
Hydroxymethylphosphonic acid
ME375507
-
C06455
14.54876193
-
Dihydrogenphosphate
-
ME375494
-
-
14.55276549
-
Ascorbate
Vitamin C
ME375647
-
C00072
14.55463569
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME375620
-
C13482
14.55709766
-
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME375531
-
C03167
14.56538069
-
Orthophosphate
Phosphoric acid
ME375495
-
C00009
14.5832255
-
Lys-Asn
Lys-Asn
ME375778
-
-
14.62745277
-
N-Methylethanolamine phosphate
N-Methylethanolamine phosphate
ME375587
-
C01210
14.69448759
-
PIPES
-
ME375819
-
-
14.77815559
-
N-Acetyl-D-glucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME375818
-
C00357
14.79080819
-
Met-Pro-Ser
Met-Pro-Ser
ME375842
-
-
14.80848626
-
propiin
-
ME375654
-
-
14.82000003
-
N-Acetyl-L-aspartate
N-Acetylaspartic acid
ME375645
-
C01042
14.86257331
-
ADP
ADP
ME375889
-
C00008
14.93005001
-
sn-Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME375625
-
C00093
14.93555115
-
2-amino-4-oxo-4-α-hydroxy-6-(erythro-1',2',3'-tri...
-
ME375836
-
-
14.95068803
-
2(alpha-D-Mannosyl)-D-glycerate
2-(alpha-D-mannosyl)-D-glyceric acid
ME375783
-
C11544
14.96888448
-
CDP-N-dimethylethanolamine
-
ME375905
-
-
14.96964578
-
(R)-Lactate
Lactic acid
ME375492
-
C00256
14.98749559
-
CMP-2-aminoethylphosphonate
CMPciliatine
ME375892
-
C05673
14.99891671
-
Xanthommatin
Xanthommatin
ME375888
-
C01969
15.00047885
-
(S)-ACPA
-
ME375713
-
C13673
15.03571947
-
UDP-N-acetyl-D-galactosamine
UDP-N-acetylgalactosamine
ME375935
-
C00203
15.07500144
-
UMP
UMP
ME375838
-
C00105
15.09157071
-
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME375937
-
C00128
15.10312771
-
L-Aspartate
Aspartic acid
ME375544
-
C00049
15.12640435
-
D-Histidine
D-Histidine
ME375588
-
C06419
15.1658766
-
glycerophosphoserine
sn-Glycero-3-phosphoserine
ME375771
-
-
15.31977921
-
Taurine
Taurine
ME375532
-
C00245
15.32528897
-
Cinnavalininate
Cinnavalininate
ME375813
-
C05640
15.32990129
-
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME375717
-
C01233
15.34854402
-
L-2-Aminoadipate
alpha-Aminoadipic acid
ME375606
-
C00956
15.36312215
-
Succinate
Succinic acid
ME375522
-
C00042
15.39819777
-
D-Xylonolactone
D-Xylono-1,5-lactone
ME375572
-
C02266
15.43312554
-
Hydantoin-5-propionate
Hydantoin-5-propionic acid
ME375626
-
C05565
15.46249864
-
(S)-1-Pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME375510
-
C03912
15.47342522
-
Ethanolamine phosphate
Phosphoethanolamine
ME375555
-
C00346
15.49883466
-
D-Glucono-1,5-lactone
Gluconolactone
ME375651
-
C00198
15.51246562
-
Glycerone phosphate
Dihydroxyacetone phosphate
ME375622
-
C00111
15.53212501
-
2-(sulfomethyl)thiazolidine-4-carboxylate
-
ME375736
-
-
15.54740272
-
L-beta-aspartyl-L-threonine
-
ME375745
-
-
15.55836114
-
N4-(Acetyl-beta-D-glucosaminyl)asparagine
Aspartylglycosamine
ME375845
-
C04540
15.56127235
-
L-beta-aspartyl-L-alanine
beta-Aspartylalanine
ME375702
-
-
15.56175007
-
trans-Aconitate
trans-Aconitic acid
ME375634
-
C02341
15.56452175
-
Pyridine-2,3-dicarboxylate
Quinolinic acid
ME375615
-
C03722
15.57423456
-
D-Ribose 5-phosphate
Ribose 5-phosphate
ME375742
-
C00117
15.57875409
-
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME375765
-
C05844
15.59208043
-
dATP
dATP
ME375912
-
C00131
15.60830977
-
L-Cystine
Cystine
ME375749
-
C00491
15.75121672
-
Asp-Cys-Cys-Gln
-
ME375904
-
-
15.76162516
-
Gln-Leu-Lys-Tyr
-
ME375921
-
-
15.86542894
-
2-Oxoglutarate
2-Oxoglutaric acid
ME375566
-
C00026
15.92678012
-
Hydroxypyruvate
Hydroxypyruvic acid
ME375503
-
C00168
15.99546448
-
sn-glycero-3-Phospho-1-inositol
sn-Glycero-3-phosphoinositol
ME375843
-
C01225
16.0350064
-
dTTP
dTTP
ME375907
-
C00459
16.07227359
-
CDP-ethanolamine
CDP-Ethanolamine
ME375896
-
C00570
16.11591246
-
D-Fructose 6-phosphate
Fructose 6-phosphate
ME375773
-
C00085
16.13277503
-
Aminoimidazole ribotide
AIR
ME375808
-
C03373
16.22900136
-
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate
ME375803
-
C05382
16.24979316
-
(S)-Malate
Malic acid
ME375547
-
C00149
16.30054565
-
dGDP
dGDP
ME375890
-
C00361
16.37469864
-
ATP
ATP
ME375916
-
C00002
16.45724325
-
UDP-glucose
UDP-glucose
ME375923
-
C00029
16.4740765
-
GDP-4-dehydro-3,6-dideoxymannose
-
ME375926
-
-
16.47642644
-
NADP+
NADP
ME375941
-
C00006
16.58317066
-
UDP
UDP
ME375883
-
C00015
16.5973554
-
octulose 8-phosphate
Octulose 8-phosphate
ME375834
-
-
16.65227915
-
UDP-D-xylose
UDP-D-xylose
ME375919
-
C00190
16.70415972
-
4-Hydroxyphenylglyoxylate
-
ME375610
-
C03590
16.71870341
-
Gammaglutamylornithine
gamma-Glutamylornithine
ME375779
-
-
16.86565272
-
D-Glucose 6-phosphate
Glucose 6-phosphate
ME375774
-
C00092
16.89930936
-
N-Carbamyl-L-glutamate
Carglumic acid
ME375672
-
C05829
16.90790873
-
Glu-Cys-Cys
Glu-Cys-Cys
ME375858
-
-
16.93733342
-
3-sulfopropanoate
-
ME375582
-
-
16.96351115
-
nonulose 9-phosphate
Nonulose 9-phosphate
ME375854
-
-
16.96650001
-
D-Glucose
Glucose
ME375657
-
C00221
16.97427341
-
CoA-glutathione
Glutathionyl-CoA
ME375920
-
C00920
17.00436113
-
Iminodiacetate
Iminodiacetate
ME375545
-
-
17.05186686
-
N-Carbamoyl-L-aspartate
Carbamoylaspartate
ME375648
-
C00438
17.05679177
-
CDP
CDP
ME375881
-
C00112
17.05695852
-
N-Acetyl-aspartyl-glutamate
N-Acetyl-Asp-Glu
ME375821
-
C12270
17.06465302
-
3-Phospho-D-glycerate
3-Phosphoglyceric acid
ME375661
-
C00197
17.15695234
-
Glutathione disulfide
Oxidized glutathione
ME375936
-
C00127
17.22677409
-
Homoisocitrate
-
ME375704
-
C05662
17.28564279
-
NADPH
NADPH
ME375942
-
C00005
17.36016659
-
D-Glucarate
Glucaric acid
ME375708
-
C00818
17.36889271
-
2-Hydroxymalonate
Hydroxypropanedioic acid
ME375524
-
C02287
17.56652396
-
(6S)-6-beta-Hydroxy-1,4,5,6-tetrahydronicotinamide...
-
ME375944
-
C04899
17.63706665
-
S-Sulfo-L-cysteine
Cysteine-S-sulfate
ME375698
-
C05824
17.63734585
-
(S,S)-Tartaric acid
-
ME375573
-
C02107
17.66659993
-
2-sinapoyloxy-3-butenylglucosinolate
-
ME375932
-
-
17.72005598
-
GDP-L-fucose
GDP-L-fucose
ME375931
-
C00325
17.7214447
-
2-Methylcitrate
2-Methylcitric acid
ME375705
-
C02225
17.78729757
-
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME375790
-
C00345
17.93166673
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME375617
-
C00074
17.96445254
-
(S)-2-O-Sulfolactate
-
ME375621
-
C02914
17.99621134
-
UTP
UTP
ME375909
-
C00075
18.03208313
-
GDP
GDP
ME375895
-
C00035
18.09076385
-
Oxalate
Oxalic acid
ME375491
-
C00209
18.26895535
-
GDP-mannose
GDP-mannose
ME375934
-
C00096
18.3222502
-
D-Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME375849
-
C00354
18.36268056
-
cis-Aconitate
cis-Aconitic acid
ME375635
-
C00417
18.45021091
-
CTP
CTP
ME375908
-
C00063
18.61052559
-
1-thio-β-D-glucose
-
ME375687
-
-
18.62632156
-
Citrate
Citric acid
ME375678
-
C00158
18.6339445
-
Sulfoacetate
Sulfoacetic acid
ME375554
-
C14179
18.66000014
-
UDP-glucuronate
UDP-glucuronic acid
ME375929
-
C00167
19.5241528
-
2,3,4,5-Tetrahydropyridine-2-carboxylate
(S)-1-Piperideine-6-carboxylic acid
ME375534
-
C00450
19.60697808
-
glutathione-sulfite
-
ME375875
-
-
19.65463126
-
GTP
GTP
ME375918
-
C00044
19.89530572
-
5-Dehydro-4-deoxy-D-glucarate
-
ME375679
-
C00679
20.29320001
-
beta-Citryl-L-glutamic acid
Beta-Citryl-glutamic acid
ME375835
-
-
20.3331526
-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate
-
ME375723
-
C04690
20.3331665
-
chromate
-
ME375520
-
-
21.33126709
-
Trimetaphosphate
-
ME375748
-
C02466
21.77172214
-
H2S2O3
-
ME375511
-
C05529
21.81115546
-
Arg-Thr-Gln-Tyr
-
ME375924
-
-
21.82103562
-
His-Lys-Trp-Pro
-
ME375925
-
-
23.60979156
-
PG(36:2)
PG 36:2
ME375946
-
-
3.317541673
-
PI(38:4)
PI 38:4
ME375950
-
-
3.410408338
-
PS(36:2)
PS 36:2
ME375948
-
-
3.418058332
-
PS(34:1)
PS 34:1
ME375943
-
-
3.424504111
-
PG(32:1)
PG 32:1
ME375940
-
-
3.459360012
-
Tetracosanoic acid
Lignoceric acid
ME375869
-
C08320
3.467530026
-
Arnicolide A
-
ME375825
-
C09299
3.515188904
-
sodium dodecyl sulfate
Blasticidin S
ME375782
-
-
3.549612223
-
1,9S,11R,15S-tetrahydroxy-13E-prostaene
-
ME375850
-
-
3.554448869
-
Di(2-ethylhexyl) adipate
Diethylhexyl adipate
ME375870
-
C14240
3.560661112
-
FA methyl(18:0)
-
ME375812
-
-
3.569729987
-
FA (20:0)
Arachidic acid
ME375832
-
C06425
3.590852254
-
Octadecanoic acid
Stearic acid
ME375799
-
C01530
3.605065545
-
9S,15S-dihydroxy-11-oxo-15-methyl-5Z,13E-prostadie...
15-Methyl-15S-PGD2
ME375867
-
-
3.609004449
-
[FA (18:1)] 9Z-octadecenoic acid
Oleic acid
ME375797
-
C00712
3.611087782
-
FA (17:0)
Margaric acid
ME375787
-
-
3.626145545
-
Pleuromutilin
Pleuromutilin
ME375871
-
C09169
3.634171109
-
FA(16:1)
Hexadecenoic acid
ME375766
-
C08362
3.646265547
-
Hexadecanoic acid
Palmitic acid
ME375768
-
C00249
3.646309984
-
FA oxo(18:0)
-
ME375811
-
-
3.653366682
-
Shiromodiol diacetate
Shiromodiol diacetate
ME375848
-
C09725
3.656396654
-
FA methyl(16:1)
-
ME375785
-
-
3.665447778
-
FA methyl(14:0)
-
ME375751
-
C16665
3.667446679
-
FA hydroxy(18:0)
-
ME375817
-
-
3.676480018
-
Tetradecanoic acid
Myristic acid
ME375740
-
C06424
3.697631107
-
[FA (18:2)] octadecadienoic acid
Octadecadienoic acid
ME375831
-
C04717
3.709677785
-
[6]-Paradol
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone
ME375794
-
C10482
3.710728895
-
FA oxo(16:0)
-
ME375786
-
-
3.715785573
-
Phytuberin
Phytuberin
ME375806
-
C09709
3.725827789
-
[FA trihydroxy(2:0)] 9S,11R,15S-trihydroxy-2,3-din...
2,3-Dinor-8-iso-PGF2alpha
ME375839
-
C14794
3.725837775
-
FA methyl(12:0) dodecanoic acid
Lauric acid
ME375716
-
-
3.742874434
-
FA hydroxy(16:0)] hexadecanoic acid
-
ME375789
-
-
3.749049971
-
Oxidized Latia luciferin
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME375686
-
C03527
3.750984463
-
Inulicin
-
ME375827
-
C09483
3.758042213
-
Dodecanoic acid
Lauric acid
ME375697
-
C02679
3.769073334
-
Botrydial
Botrydial
ME375830
-
C09622
3.770087789
-
[PR] Tretinoin/All-Trans Retinoic Acid
Retinoic acid
ME375816
-
C00777
3.774120009
-
Tetranor-PGE1
Tetranor-PGE1
ME375810
-
-
3.776147766
-
Methyl oxalate
-
ME375521
-
C10900
3.787230004
-
Nigakihemiacetal A
Nigakihemiacetal A
ME375885
-
C08772
3.790366686
-
Rishitin
Rishitin
ME375733
-
C09715
3.792246653
-
[PR trihydroxy(2:0)] (-)-8alpha,15-diacetoxy-4beta...
-
ME375894
-
-
3.792277764
-
Xanthoxin
-
ME375763
-
C13453
3.797303297
-
ethyl propionate
Ethyl propanoate
ME375499
-
-
3.798302222
-
9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadie...
18-Acetoxy-PGF2alpha-11-acetate
ME375900
-
-
3.802323337
-
Retinyl ester
Retinyl ester
ME375820
-
C02075
3.804299995
-
FA (20:4)
Arachidonic acid
ME375822
-
C00219
3.822490014
-
[FA (11:0)] undecanoic acid
Undecylic acid
ME375665
-
-
3.832535587
-
Tetranor-PGF1alpha
Tetranor-PGF1alpha
ME375815
-
-
3.834565531
-
FA (12:1) dodecenoic acid
Dodecenoic acid
ME375691
-
-
3.858766666
-
[FA trihydroxy(20:4)] 5S,12R,20-trihydroxy-6Z,8E,1...
20-Hydroxy LTB4
ME375857
-
C04853
3.86070109
-
Decanoic acid
Capric acid
ME375631
-
C01571
3.87477556
-
Prostaglandin G2
PGG2
ME375868
-
C05956
3.881841109
-
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl...
-
ME375879
-
-
3.8909444
-
4-Heptyloxyphenol
4-Heptyloxyphenol
ME375707
-
C14236
3.893934445
-
[PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...
-
ME375933
-
-
3.906095865
-
[FA] Methyl jasmonate
Methyl jasmonate
ME375735
-
C11512
3.926231113
-
FA oxo(14:1) cyclopentanebutanoic acid
-
ME375747
-
-
3.938242238
-
3-Isopropylcatechol
3-Isopropylcatechol
ME375581
-
C01014
3.939589979
-
FA oxo(12:1)
Traumatin
ME375712
-
C16309
3.947337799
-
3-Oxododecanoic acid
3-Oxododecanoic acid
ME375715
-
C02367
3.966501126
-
FA methyl(8:0)
-
ME375598
-
-
3.969506683
-
Jasmone
cis-Jasmone
ME375608
-
C08490
3.971561093
-
Amaralin
-
ME375781
-
C09291
3.989683363
-
10-hydroxygeraniol
-
ME375623
-
C17621
4.00795556
-
[FA hydroxy(11:1)] undecenoic acid
Undecenoic acid
ME375695
-
-
4.041198883
-
[FA (8:1/5:2/7:0)] 5-hydroperoxy-7-[3,5-epidioxy-2...
-
ME375860
-
-
4.057461124
-
FA hydroxy(12:0) dodecanoic acid
Lauric acid
ME375722
-
-
4.067502221
-
10-oxogeranial
-
ME375614
-
C17622
4.07264779
-
Dehydrophytosphingosine
Dehydrophytosphingosine
ME375833
-
-
4.092198799
-
Apiole
Apiole
ME375730
-
C10429
4.098854438
-
[PR] Iridotrial
Iridotrial
ME375659
-
C06070
4.131574419
-
Carnosol
Carnosol
ME375841
-
C09069
4.135868772
-
LysoPE(20:4)
LPE 20:4
ME375915
-
-
4.142411105
-
FA (8:0) octanoic acid
Caprylic acid
ME375560
-
C06423
4.142496643
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME375750
-
-
4.150946655
-
FA hydroxy(9:0) hydroxy-nonanoic acid
-
ME375644
-
-
4.152362213
-
Dehydrovomifoliol
Dehydrovomifoliol
ME375732
-
C02533
4.161881104
-
LysoPE(18:1)
LPE 18:1
ME375906
-
-
4.184431945
-
Thymyl acetate
Thymol acetate
ME375682
-
C09909
4.231263326
-
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...
LPE P-16:0 or LPE O-16:1
ME375893
-
-
4.234190241
-
Glycochenodeoxycholate
Glycochenodeoxycholic acid
ME375897
-
C05466
4.244404157
-
N-Undecanoylglycine
N-Undecanoylglycine
ME375752
-
-
4.250722232
-
JSTX-3
Joro spider toxin
ME375922
-
C13931
4.271255599
-
FA oxo(10:0)
-
ME375664
-
-
4.271281111
-
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-2...
Chenodeoxycholic acid
ME375878
-
C02528
4.272234429
-
FA dioxo(10:0)
-
ME375694
-
-
4.27741667
-
1-(3,4-dimethoxylphenyl)ethane-1,2-diol
-
ME375690
-
C16644
4.284796668
-
3-Hydroxydodecanedioicacid
3-Hydroxy-dodecanedioic acid
ME375761
-
-
4.293950009
-
LysoPE(16:1)
LPE 16:1
ME375899
-
-
4.305877813
-
hexanesulfonate
-
ME375612
-
-
4.358582187
-
FA methyl(6:0)
-
ME375540
-
-
4.369833272
-
[FA (10:0/2:0)] Decanedioic acid
Sebacic acid
ME375701
-
C08277
4.375801103
-
8-Epiiridodial glucoside
8-Epiiridodial glucoside
ME375840
-
C11656
4.391865573
-
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME375629
-
C16322
4.40387441
-
FA methyl(16:0)] tetradecanedioic acid
-
ME375788
-
-
4.420298886
-
[FA oxo(8:1)] 5-oxo-7-octenoic acid
5-Oxo-7-octenoic acid
ME375593
-
-
4.433771091
-
3-Dimethylallyl-4-hydroxymandelic acid
-
ME375746
-
C12457
4.442075534
-
N-Decanoylglycine
N-Decanoylglycine
ME375741
-
-
4.44214447
-
FA hydroxy(10:0)
-
ME375669
-
-
4.455534431
-
N-(6-Aminohexanoyl)-6-aminohexanoate
-
ME375757
-
C01255
4.472298516
-
FA hydroxy(7:0)
-
ME375569
-
-
4.482395562
-
p-Chlorobenzhydrol
-
ME375725
-
C14672
4.495777757
-
3-amino-isobutanoic acid
3-Aminoisobutanoic acid
ME375502
-
-
4.495983276
-
[FA hydroxy(9:0)] 2-hydroxy-nonanoic acid
-
ME375643
-
-
4.526977726
-
7,8-diketopelargonate
-
ME375663
-
-
4.527834405
-
5-Hydroxyconiferaldehyde
5-Hydroxyconiferaldehyde
ME375684
-
C12204
4.529854431
-
Phenylpropanoate
Hydrocinnamic acid
ME375577
-
C05629
4.529872267
-
Hexanoic acid
Caproic acid
ME375517
-
C01585
4.530924377
-
N-Nonanoylglycine
N-Nonanoylglycine
ME375718
-
-
4.538172167
-
FA methyl(15:0) tridecanedioic acid
Tridecanedioic acid
ME375770
-
-
4.541254408
-
FA oxo(8:0) oxo-octanoic acid
-
ME375597
-
-
4.546473321
-
4-Methyl-2-oxopentanoate
Ketoleucine
ME375539
-
C00233
4.547529975
-
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran...
-
ME375601
-
-
4.555813361
-
Ethyl (R)-3-hydroxybutanoate
-
ME375543
-
C03499
4.559938931
-
Cantleyine
Cantleyine
ME375706
-
C09933
4.563990317
-
Ethyl (R)-3-hydroxyhexanoate
Ethyl (R)-3-hydroxyhexanoate
ME375604
-
C03864
4.565130039
-
Hexanoylglycine
Hexanoylglycine
ME375632
-
-
4.566160007
-
Dimethyl adipate
Dimethyl adipate
ME375639
-
C14570
4.570285611
-
Methyl butyrate
Methyl butanoate
ME375501
-
-
4.570888875
-
[FA (13:0/2:0)] Tridecanedioic acid
Tridecanedioic acid
ME375756
-
-
4.574392259
-
Dodecanedioic acid
Dodecanedioic acid
ME375744
-
C02678
4.580581156
-
Vanilpyruvicacid
Vanilpyruvic acid
ME375710
-
-
4.583701104
-
Dalpalatin
-
ME375864
-
-
4.585689327
-
1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucop...
-
ME375792
-
-
4.587844442
-
Demethyltorosaflavone D
Demethyltorosaflavone D
ME375862
-
-
4.847265244
-
Phenol sulfate
Phenyl hydrogen sulfate
ME375633
-
C02180
5.028443019
-
Salicylaldehyde
2-Hydroxybenzaldehyde
ME375528
-
C06202
5.058226624
-
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME375529
-
C00633
5.984584486
-
LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))
LPE 0:0/20:4(5Z,8Z,11Z,14Z)
ME375914
-
-
7.281581726
-
Embelin
Embelin
ME375807
-
C10342
7.295436707
-
Ferulate
trans-Ferulic acid
ME375683
-
C01494
7.316647814
-
Zinnimidine
Zinnimidine
ME375780
-
C10626
7.320602247
-
Arecoline
Arecoline
ME375590
-
C10129
7.340262214
-
4-Hydroxyhexan-3-one
4-Hydroxyhexan-3-one
ME375516
-
C02948
7.343471103
-
2-6-10-Trimethylundecanoicacid
-
ME375739
-
-
7.345285509
-
p-Menthane-3,8-diol
-
ME375630
-
C02904
7.345319994
-
[FA methyl(11:0)] 10-methyl-undecanoic acid
Isolauric acid
ME375696
-
-
7.345354445
-
[FA (8:0)] octanoic acid
Caprylic acid
ME375561
-
C06423
7.346355557
-
Dillapiole
Dillapiol
ME375731
-
C10449
7.347466702
-
Ursodiol
Ursodeoxycholic acid
ME375877
-
C07880
7.353609992
-
FA oxo(9:0) oxo-nonanoic acid
Oxononanoic acid
ME375628
-
-
7.360725538
-
FA hydroxy(6:0)
-
ME375542
-
-
7.371959941
-
Suberic acid
Suberic acid
ME375640
-
C08278
7.375023397
-
3-Methyl-2-oxobutanoic acid
Ketoisovaleric acid
ME375515
-
C00141
7.397078824
-
[FA hydroxy(9:0)] 3-hydroxy-nonanoic acid
-
ME375642
-
-
7.398354424
-
(-)-12-hydroxy-9,10-dihydrojasmonic acid
-
ME375738
-
-
7.399106649
-
3-Methylbutanoic acid
Isovaleric acid
ME375500
-
C08262
7.427813348
-
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan
ME375861
-
-
7.431484773
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME375859
-
C12600
7.434048716
-
d-biotin d-sulfoxide
-
ME375775
-
-
7.445537525
-
FA hydroxy(8:0) hydroxy-octanoic acid
Hydroxyoctanoic acid
ME375603
-
-
7.452205539
-
Capryloylglycine
Capryloylglycine
ME375699
-
-
7.454222209
-
Hippurate
Hippuric acid
ME375653
-
C01586
7.454405551
-
N-Acetylmethionine
N-Acetylmethionine
ME375677
-
C02712
7.454405551
-
FA oxo(7:0)
-
ME375559
-
-
7.455244412
-
2-Isopropylmaleate
Isopropylmaleate
ME375596
-
C02631
7.456223314
-
3,4-Dihydroxyphenylacetaldehyde
3,4-Dihydroxyphenylacetaldehyde
ME375579
-
C04043
7.456265598
-
[SP] Sphing-4-enine-1-phosphate
Sphingosine 1-phosphate
ME375873
-
C06124
7.456933297
-
5-Hydroxyferulate
-
ME375709
-
C05619
7.458020201
-
Psoralidin
Psoralidin
ME375846
-
C10523
7.459469393
-
Pyrimidine nucleoside
Pyrimidine nucleoside
ME375714
-
C03169
7.460179412
-
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME375700
-
C04067
7.460341085
-
5-Acetamidopentanoate
5-Acetamidovaleric acid
ME375600
-
C03087
7.460341119
-
Ribothymidine
Ribothymidine
ME375769
-
-
7.460763889
-
FA methyl(14:0) dodecanedioic acid
Dodecanedioic acid
ME375755
-
-
7.46135888
-
Benzoate
Benzoic acid
ME375527
-
C00180
7.462373352
-
3-Hydroxyisoheptanoicacid
3-Hydroxyisoheptanoic acid
ME375568
-
-
7.462385559
-
13,14-Dihydro-15-oxo-lipoxin A4
-
ME375855
-
-
7.463343048
-
5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyi...
-
ME375863
-
-
7.463451131
-
2-oxosuberate
-
ME375667
-
C16589
7.463468967
-
5-Hydroxypentanoate
5-Hydroxyvaleric acid
ME375523
-
C02804
7.464398872
-
Tuliposide A
Tuliposide A
ME375793
-
C08561
7.464398872
-
2-oxobut-3-enanoate
-
ME375496
-
-
7.465409953
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME375666
-
C01092
7.465409953
-
(S)-2-Acetolactate
(S)-2-Acetolactate
ME375541
-
C06010
7.465409953
-
(S)-3-Methyl-2-oxopentanoic acid
(S)-3-Methyl-2-oxopentanoic acid
ME375538
-
C00671
7.465409953
-
(2S)-2-Isopropyl-3-oxosuccinate
2-Isopropyl-3-oxosuccinate
ME375636
-
C04236
7.469525553
-
(S)-2-Aceto-2-hydroxybutanoate
Acetohydroxybutyric acid
ME375567
-
C06006
7.471017727
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME375533
-
C05123
7.472607761
-
Methylitaconate
-
ME375558
-
C02295
7.472657776
-
6-Amino-2-oxohexanoate
2-Keto-6-aminocaproate
ME375564
-
C03239
7.479976637
-
Zoxazolamine
Zoxazolamine
ME375618
-
C13841
7.487538995
-
Oligomycin B
Oligomycin B
ME375949
-
C11312
7.489980934
-
Diisopropyl adipate
-
ME375743
-
C14523
7.519415521
-
Norepinephrinesulfate
Norepinephrine sulfate
ME375762
-
-
7.529031881
-
4-Nitroaniline
4-Nitroaniline
ME375552
-
C02126
7.564243368
-
N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy...
-
ME375891
-
-
7.568139321
-
Vinylacetylglycine
Vinylacetylglycine
ME375557
-
-
7.573492314
-
Oxoamide
Oxoamide
ME375681
-
-
7.585716629
-
Phe-Asn
Phe-Asn
ME375795
-
-
7.687859726
-
3,4-dihydroxybenzylamine
3,4-Dihydroxybenzylamine
ME375553
-
-
7.796222221
-
8-Oxocoformycin
-
ME375796
-
C02243
7.846343019
-
Ala-Phe-Val-Asp
-
ME375898
-
-
7.915713331
-
beta-Alanopine
-
ME375599
-
C02207
7.924048751
-
Phenylgalactoside
Phenyl-beta-D-galactoside
ME375767
-
C02578
7.926905551
-
Uracil
Uracil
ME375508
-
C00106
8.00079105
-
N-Acetylvanilalanine
N-Acetylvanilalanine
ME375764
-
-
8.02206387
-
(R)-3-Hydroxybutanoate
3R-Hydroxybutyric acid
ME375504
-
C01089
8.032431064
-
3-(4-Hydroxyphenyl)pyruvate
4-Hydroxyphenylpyruvic acid
ME375655
-
C01179
8.153884676
-
Nalpha,Nalpha-Dimethyl-L-histidine
N,N-Dimethylhistidine
ME375660
-
C04259
8.18442821
-
Dipropyl disulfide
Dipropyl disulfide
ME375576
-
C08373
8.189585916
-
Ile-Ser
Ile-Ser
ME375726
-
-
8.245645251
-
4-oxo-4-(3-pyridyl)-butanoate
-
ME375652
-
-
8.314027744
-
Ala-Met-Val-Pro
-
ME375887
-
-
8.317206042
-
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME375592
-
C03680
8.370948622
-
N-hydroxyisoleucine
N-hydroxyisoleucine
ME375571
-
-
8.418966675
-
7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzop...
-
ME375829
-
C15051
8.432618205
-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate
-
ME375720
-
-
8.487152608
-
8-(3,3-Dimethylallyl)-3-methylgalangin
-
ME375856
-
C11578
8.493047032
-
Pyruvate
Pyruvic acid
ME375488
-
C00022
8.493623352
-
Glucosylgalactosylhydroxylysine
Glucosylgalactosyl hydroxylysine
ME375910
-
-
8.510670415
-
[Fv] Calomelanol D-1
-
ME375876
-
-
8.554762129
-
5-Oxopentanoate
Glutarate semialdehyde
ME375514
-
C03273
8.55927341
-
[FA (11:0/2:0)] Undecanedioic acid
Undecanedioic acid
ME375721
-
-
8.577944505
-
Asn-Met-Gln-Pro
-
ME375911
-
-
8.634879783
-
2-Oxoglutaramate
2-Keto-glutaramic acid
ME375562
-
C00940
8.691690979
-
(R)-2,3-Dihydroxy-3-methylbutanoate
(R)-2,3-Dihydroxy-isovalerate
ME375548
-
C04272
8.754455499
-
Met-Trp-Trp-Trp
-
ME375939
-
-
8.779614185
-
Tetrahydropteridine
Tetrahydropteridine
ME375551
-
C05650
8.864401415
-
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8...
Depdecin
ME375737
-
-
8.892389865
-
a Cysteine adduct
-
ME375676
-
-
9.066865285
-
3-(4-Hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME375658
-
C03672
9.187224906
-
3-Dehydroxycarnitine
3-Dehydroxycarnitine
ME375565
-
C05543
9.220641666
-
Tauropine
Tauropine
ME375689
-
C01616
9.27612915
-
6-Methoxytaxifolin
6-Methoxytaxifolin
ME375844
-
C09770
9.388675759
-
O-Acetyl-L-homoserine
O-Acetyl-homoserine
ME375605
-
C01077
9.472284478
-
N-Acetylindoxyl
N-Acetylindoxyl
ME375646
-
C02298
9.619262356
-
Acetylglycine
N-Acetylglycine
ME375518
-
-
9.629900106
-
Orotate(Fragment)
Orotic acid
ME375509
-
C00295
9.658828871
-
(S)-AMPA
Ampa
ME375662
-
C13672
9.743134484
-
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME375703
-
C03955
9.776644389
-
(S)-Lactate
Lactic acid
ME375493
-
C00186
9.803637695
-
5-6-Dihydrouridine
5,6-Dihydrouridine
ME375760
-
-
9.832509698
-
3-Oxopropanoate
Malonic semialdehyde
ME375489
-
C00222
9.852870009
-
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