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Return to study ST001517 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
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME366235
75810
C05828
2064
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME366236
6451814
-
1989
-
1-methylhistidine
1-Methylhistidine
ME366237
92105
C01152
2755
-
1-methylnicotinamide
1-Methyl nicotinamide
ME366316
457
C02918
1940
-
1-ribosyl-imidazoleacetate*
Imidazoleacetic acid riboside
ME366238
5117448
C05131
2006
-
2-aminobutyrate
2-Aminobutyric acid
ME366222
439691
C02261
2059
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME366337
227939
-
3160
-
2-aminooctanoate
2-Aminocaprylic acid
ME366447
69522
-
750
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME366338
43
C02630
958
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME366247
6426901
-
3050
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME366357
150971
-
2411
-
2-oxoarginine*
2-Oxoarginine
ME366296
558
C03771
1760
-
2-piperidinone
2-Piperidinone
ME366391
12665
-
1675
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME366297
5200225
-
2065
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME366361
64956
C05145
2190
-
3-(cystein-S-yl)acetaminophen*
3-(Cystein-S-yl)acetaminophen
ME366388
5233914
-
2420
-
3-formylindole
1H-Indole-3-carboxaldehyde
ME366392
10256
C08493
2736
-
3-hydroxybutyroylglycine**
3-hydroxybutyroylglycine
ME366334
-
-
978
-
3-methoxytyrosine
3-Methoxytyrosine
ME366294
1670
-
2555
-
3-methylcytidine
3-Methylcytidine
ME366358
159649
-
2176
-
3-methylhistidine
3-Methylhistidine
ME366239
64969
C01152
2670
-
3-ureidopropionate
Ureidopropionic acid
ME366362
111
C02642
875
-
4-cholesten-3-one
Cholestenone
ME366454
91477
C00599
2520
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME366234
500
C01035
2320
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME366214
439902
C03079
1141
-
4-imidazoleacetate
Imidazoleacetic acid
ME366240
96215
C02835
2055
-
5-dodecenoylcarnitine (C12:1)
CAR 12:1(5)
ME366429
-
-
1135
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME366254
123986
-
2755
-
5-hydroxylysine
5-Hydroxylysine
ME366255
1029
C16741
2790
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME366282
439176
C00170
2752
-
5-methylthioribose**
5-Methylthioribose
ME366266
494
-
790
-
7-methylguanine
7-Methylguanine
ME366354
11361
C02242
2175
-
acetylcarnitine (C2)
CAR 2:0
ME366333
1
C02571
2282
-
adenine
Adenine
ME366350
190
C00147
2221
-
adenosine 5'-monophosphate (AMP)
AMP
ME366351
6083
C00020
1013
-
adipoylcarnitine (C6-DC)
CAR DC6:0
ME366328
71296139
-
2570
-
alanine
Alanine
ME366205
5950
C00041
1700
-
alpha-tocopherol
alpha-Tocopherol
ME366410
14985
C02477
2522
-
anthranilate
2-Aminobenzoic acid
ME366287
227
C00108
2606
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME366436
-
-
1353
-
arachidonoylcholine
Arachidonoylcholine
ME366440
-
-
1390
-
arachidoylcarnitine (C20)*
CAR 20:0
ME366418
-
-
1512
-
argininate*
Argininic acid
ME366298
160437
-
2150
-
arginine
Arginine
ME366299
232
C00062
2825
-
asparagine
Asparagine
ME366206
6267
C00152
1225
-
aspartate
Aspartic acid
ME366207
5960
C00049
1165
-
behenoylcarnitine (C22)*
CAR 22:0
ME366419
-
-
1561
-
beta-alanine
beta-Alanine
ME366363
239
C00099
1905
-
beta-cryptoxanthin
Cryptoxanthin
ME366412
6384256
-
2560
-
betaine
Betaine
ME366227
247
C00719
1064
-
beta-sitosterol
Sitosterol
ME366455
222284
C01753
3054
-
bilirubin (E,E)*
Bilirubin
ME366405
5315454
-
1045
-
bilirubin (Z,Z)
Bilirubin
ME366406
5280352
C00486
1840
-
biliverdin
Biliverdin
ME366407
5353439
C00500
1016
-
butyrylcarnitine (C4)
CAR 4:0
ME366335
439829
C02862
2860
-
caffeine
Caffeine
ME366401
2519
C07481
2106
-
campesterol
Campesterol
ME366456
173183
C01789
2873
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME366215
2572
-
2085
-
carnitine
Carnitine
ME366326
10917
C00318
1978
-
carotene diol (2)
Carotene diol
ME366413
-
-
1904
-
carotene diol (3)
Carotene diol
ME366414
-
-
1948
-
cerotoylcarnitine (C26)*
CAR 26:0
ME366420
-
-
1649
-
cholesterol
Cholesterol
ME366457
11025495
C00187
2707
-
choline
Choline
ME366340
305
C00114
1961
-
choline phosphate
Choline phosphate
ME366341
1014
C00588
700
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME366430
-
-
1057
-
citrate
Citric acid
ME366323
311
C00158
915
-
citrulline
Citrulline
ME366300
9750
C00327
1520
-
creatine
Creatine
ME366211
586
C00300
1947
-
creatinine
Creatinine
ME366212
588
C00791
2055
-
cys-gly, oxidized
CYS-GLY, oxidized
ME366223
333293
-
2947
-
cysteine
Cysteine
ME366267
5862
C00097
1475
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME366224
4247235
-
2465
-
cysteine s-sulfate
Cysteine-S-sulfate
ME366268
115015
C05824
565
-
cysteine sulfinic acid
3-Sulfino-alanine
ME366269
109
C00606
597
-
cysteinylglycine
Cys-Gly
ME366225
439498
C01419
2132
-
cysteinylglycine disulfide*
Cysteinylglycine disulfide
ME366226
-
-
2547
-
cystine
Cystine
ME366270
67678
C00491
2000
-
cytidine
Cytidine
ME366359
6175
C00475
2124
-
cytosine
Cytosine
ME366360
597
C00380
2060
-
decanoylcarnitine (C10)
CAR 10:0
ME366425
10245190
-
1130
-
deoxycarnitine
3-Dehydroxycarnitine
ME366327
134
C01181
2052
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)*
CAR 20:3
ME366437
-
-
1392
-
dihomo-linolenoyl-choline
Dihomo-gamma-linolenoylcholine
ME366441
-
-
1424
-
dihomo-linoleoylcarnitine (C20:2)*
CAR 20:2
ME366438
-
-
1436
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME366301
123831
C03626
2850
-
dimethylglycine
Dimethylglycine
ME366228
673
C01026
1104
-
dimethyl sulfone
Dimethyl sulfone
ME366385
6213
C11142
832
-
docosahexaenoylcholine
Docosahexaenoylcholine
ME366442
-
-
1378
-
ectoine
Ectoine
ME366386
126041
C06231
1980
-
ergothioneine
Ergothioneine
ME366393
3032311
C05570
850
-
formiminoglutamate
Formiminoglutamic acid
ME366241
439233
C00439
1880
-
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME366369
-
-
2380
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME366372
440103
-
1986
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME366370
65254
-
2784
-
gamma-glutamylcitrulline*
gamma-Glutamylcitrulline
ME366373
-
-
1644
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME366371
7015685
-
2725
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME366374
92865
C05282
1775
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME366375
150914
C05283
1430
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME366376
165527
-
1535
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME366377
7017195
-
2740
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME366378
14253342
-
2940
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME366379
151023
-
2991
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME366380
7009567
-
2640
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME366381
111299
-
2992
-
gamma-glutamylserine
gamma-Glu-Ser
ME366382
-
-
1351
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME366383
76078708
-
1750
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME366411
-
-
2384
-
glutamate
Glutamic acid
ME366216
611
C00025
1500
-
glutamine
Glutamine
ME366217
5961
C00064
1291
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME366256
71464488
-
2393
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME366339
754
C00093
580
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME366342
123874
C01233
659
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME366343
167572
-
516
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME366344
71920
C00670
672
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME366345
3081457
-
577
-
glycine
Glycine
ME366229
750
C00037
1375
-
glycodeoxycholate
Glycodeoxycholic acid
ME366448
3035026
C05464
1302
-
glycylvaline
Gly-Val
ME366365
97417
-
2734
-
guanidinoacetate
Guanidoacetic acid
ME366213
763
C00581
1937
-
guanosine
Guanosine
ME366355
6802
C00387
1728
-
heme
Heme
ME366408
26945
C00032
1124
-
hexanoylcarnitine (C6)
CAR 6:0
ME366332
6426853
-
3358
-
histidine betaine (hercynine)*
Hercynine
ME366394
3083620
-
2094
-
homoarginine
Homoarginine
ME366302
9085
C01924
2882
-
homostachydrine*
(S)-Homostachydrine
ME366395
441447
C08283
1750
-
hydroxyasparagine**
Hydroxyasparagine
ME366208
97663
C03124
1149
-
hydroxy-N6,N6,N6-trimethyllysine*
3-Hydroxy-N6,N6,N6-trimethyl-lysine
ME366257
-
-
2759
-
hypotaurine
Hypotaurine
ME366271
107812
C00519
724
-
imidazole lactate
Imidazolelactic acid
ME366242
793
C05568
2040
-
imidazole propionate
Imidazole propanoate
ME366243
70630
-
2263
-
indoleacetylglutamine
Indoleacetyl glutamine
ME366288
25200879
-
2185
-
indolin-2-one
Indolin-2-one
ME366396
321710
C12312
2575
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME366248
168379
-
2810
-
isocitrate
Isocitric acid
ME366324
1198
C00311
773
-
isoleucine
Isoleucine
ME366249
6306
C00407
2800
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME366250
6426851
-
3085
-
kynurenine
Kynurenine
ME366289
161166
C00328
2739
-
lanthionine
Lanthionine
ME366272
98504
-
1730
-
laurylcarnitine (C12)
CAR 12:0
ME366426
10427569
-
1235
-
leucine
Leucine
ME366251
6106
-
2864
-
leucylglycine
Leu-Gly
ME366366
79070
-
2778
-
lignoceroylcarnitine (C24)*
CAR 24:0
ME366421
-
-
1603
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME366439
6450015
-
1430
-
linoleoylcholine*
alpha-Linoleoylcholine
ME366443
-
-
1388
-
L-urobilin
L-Urobilin
ME366409
5280818
C05793
901
-
lysine
Lysine
ME366258
5962
C00047
2850
-
methionine
Methionine
ME366273
6137
C00073
2526
-
methionine sulfone
Methionine sulfone
ME366274
69961
-
1250
-
methionine sulfoxide
Methionine sulfoxide
ME366275
158980
C02989
1272
-
methyl indole-3-acetate
Indole-3-methyl acetate
ME366397
74706
-
3380
-
methylphosphate
Methanolphosphate
ME366348
13130
-
544
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME366431
90659872
-
1316
-
myristoylcarnitine (C14)
CAR 14:0
ME366422
6426854
-
1350
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME366317
69698
C05842
1250
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME366318
440810
C05843
1260
-
N1-methyladenosine
1-Methyladenosine
ME366352
27476
C02494
2120
-
N1-methylinosine
1-Methylinosine
ME366349
65095
-
1430
-
N1,N12-diacetylspermine
N1,N12-Diacetylspermine
ME366285
132680
C03413
3105
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME366281
-
-
3080
-
N2-acetyl,N6-methyllysine
N2-Acetyl,N6-methyllysine
ME366261
-
-
2168
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME366356
92919
-
2210
-
N6-methyladenosine
N6-Methyladenosine
ME366353
102175
-
2264
-
N6-methyllysine
N(6)-Methyllysine
ME366264
164795
C02728
2831
-
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME366263
193344
C05545
2831
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME366262
440120
C03793
2825
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME366244
53859791
-
2100
-
N-acetylarginine
N-Acetylarginine
ME366304
67427
C02562
2245
-
N-acetylasparagine
N-Acetylasparagine
ME366209
99715
-
785
-
N-acetylcitrulline
N-Acetylcitrulline
ME366305
656979
C15532
1010
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME366313
24139
-
715
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME366314
123826
C04540
1212
-
N-acetylglutamate
N-Acetylglutamic acid
ME366218
70914
C00624
1050
-
N-acetylglutamine
N-Acetylglutamine
ME366219
182230
C02716
845
-
N-acetylglycine
N-Acetylglycine
ME366230
10972
-
826
-
N-acetylhistidine
N-Acetylhistidine
ME366245
75619
C02997
2065
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME366283
131802901
-
2305
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME366276
193368
-
880
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME366315
439197
C00270
660
-
N-acetylputrescine
N-Acetylputrescine
ME366284
122356
C02714
2230
-
N-carbamoylalanine
N-Carbamoylalanine
ME366210
426409
-
950
-
nervonoylcarnitine (C24:1)*
CAR 24:1
ME366432
-
-
1602
-
nicotinamide
Niacinamide
ME366319
936
C00153
1942
-
N-methylpipecolate
N-methyl pipecolic acid
ME366384
11286529
-
1932
-
N-methylproline
N-Methyl-proline
ME366306
557
-
1335
-
N-monomethylarginine
Targinine
ME366307
132862
C03884
2845
-
N,N-dimethyl-5-aminovalerate
N,N-Dimethyl-5-aminovaleric acid
ME366260
-
-
2290
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME366259
14274897
-
2186
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME366303
-
-
2470
-
nonanoylcarnitine (C9)
CAR 9:0
ME366427
-
-
1010
-
octadecanedioylcarnitine (C18-DC)*
CAR DC18:0
ME366416
-
-
1227
-
octadecenedioylcarnitine (C18:1-DC)*
CAR DC18:1
ME366417
-
-
1180
-
octanoylcarnitine (C8)
CAR 8:0
ME366428
123701
C02838
950
-
oleoylcarnitine (C18:1)
CAR 18:1
ME366433
6441392
-
1423
-
oleoylcholine
Oleoylcholine
ME366444
-
-
1449
-
ornithine
Ornithine
ME366308
6262
C00077
2800
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME366434
71464547
-
1357
-
palmitoylcarnitine (C16)
CAR 16:0
ME366423
461
C02990
1425
-
palmitoylcholine
Palmitoylcholine
ME366445
151731
-
1482
-
paraxanthine
Paraxanthine
ME366402
4687
C13747
1810
-
phenylacetylcarnitine
-
ME366364
101724840
-
3092
-
phenylalanine
Phenylalanine
ME366280
6140
C00079
2878
-
phenylalanylglycine
Phe-Gly
ME366367
98207
-
2898
-
phosphate
Phosphoric acid
ME366322
1061
C00009
576
-
phosphoethanolamine
Phosphoethanolamine
ME366346
1015
C00346
700
-
picolinate
Picolinic acid
ME366290
1018
C10164
910
-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME366329
-
-
2773
-
pipecolate
Pipecolic acid
ME366265
849
C00408
2200
-
pro-hydroxy-pro
Pro-hydroxyPro
ME366309
11673055
-
2128
-
proline
Proline
ME366310
145742
C00148
1603
-
prolylglycine
Pro-Gly
ME366368
6426709
-
2136
-
propionylcarnitine (C3)
CAR 3:0
ME366336
107738
C03017
2590
-
pyroglutamine*
Pyroglutamine
ME366220
134508
-
1900
-
quinolinate
Quinolinic acid
ME366320
1066
C03722
845
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME366330
53481617
-
2400
-
retinol (Vitamin A)
Retinol
ME366415
445354
C00473
1636
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME366221
1196
C04322
1528
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME366331
-
-
2340
-
S-allylcysteine
S-Allylcysteine
ME366398
98280
-
2690
-
sarcosine
Sarcosine
ME366231
1088
C00213
1280
-
S-carboxymethyl-L-cysteine
S-Carboxymethyl-cysteine
ME366390
1080
C03727
1490
-
serine
Serine
ME366232
5951
C00065
1239
-
serotonin
Serotonin
ME366291
5202
C00780
2550
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME366277
82142
-
900
-
S-methylmethionine
S-Methylmethionine
ME366278
458
C05319
2555
-
spermidine
Spermidine
ME366286
1102
C00315
3355
-
sphingadienine
Sphingadienine
ME366449
6449795
-
1350
-
sphinganine
Sphinganine
ME366450
3126
C00836
1413
-
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME366451
520
-
1431
-
sphingosine
Sphingosine
ME366452
5353955
C00319
1393
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME366453
5283560
C06124
1375
-
stachydrine
Stachydrine
ME366399
115244
C10172
1440
-
stearoylcarnitine (C18)
CAR 18:0
ME366424
6426855
-
1485
-
stearoylcholine*
Stearoylcholine
ME366446
-
-
1520
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME366325
71464481
-
2291
-
sulfamethoxazole
Sulfamethoxazole
ME366389
5329
D00285,C07315,D00447
2405
-
taurine
Taurine
ME366279
1123
C00245
660
-
theanine
N(5)-Ethyl-glutamine
ME366400
439378
C01047
2180
-
theobromine
Theobromine
ME366403
5429
C07480
1600
-
theophylline
Theophylline
ME366404
2153
C07130
1870
-
thioproline
Thioproline
ME366387
93176
-
1250
-
threonine
Threonine
ME366233
6288
C00188
1514
-
tiglylcarnitine (C5:1-DC)
CAR DC5:1
ME366252
22833596
-
2962
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME366311
5810
C01157
1064
-
trans-urocanate
Urocanic acid
ME366246
736715
C00785
2285
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME366321
5570
C01004
1388
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME366347
1145
C01104
2100
-
tryptophan
Tryptophan
ME366292
6305
C00078
2986
-
tryptophan betaine
Lenticin
ME366293
442106
C09213
2673
-
tyrosine
Tyrosine
ME366295
6057
C00082
2430
-
urea
Urea
ME366312
1176
C00086
700
-
valine
Valine
ME366253
6287
C00183
2479
-
ximenoylcarnitine (C26:1)*
CAR 26:1
ME366435
-
-
1607
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME366599
5312435
-
5555
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME366629
14891
C13910
5085.8
-
12,13-DiHOME
12,13-DiHOME
ME366582
10236635
C14829
5137
-
1,2,3-benzenetriol sulfate (2)
Pyrogallol sulfate
ME366732
-
-
1709
-
12-HETE
12-HETE
ME366548
5312983
-
5326
-
12-HHTrE
12S-HHTrE
ME366549
5283141
C20388
5175
-
13-HODE + 9-HODE
HODE
ME366584
43013
-
5275
-
14-HDoHE/17-HDoHE
-
ME366547
-
-
5296
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME366529
64960
C07326
802
-
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME366537
-
-
4240
-
1,7-dimethylurate
1,7-Dimethyluric acid
ME366775
91611
C16356
1578.6
-
1-carboxyethylisoleucine
1-Carboxyethylisoleucine
ME366465
-
-
2628
-
1-carboxyethylleucine
1-Carboxyethylleucine
ME366466
-
-
2663
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME366491
-
-
2844
-
1-carboxyethyltyrosine
1-Carboxyethyltyrosine
ME366511
-
-
1846
-
1-carboxyethylvaline
1-Carboxyethylvaline
ME366467
-
-
2008
-
1-hydroxy-2-naphthalenecarboxylate
1-Hydroxy-2-naphthoate
ME366757
6844
C03203
3930
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME366626
-
-
5516
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME366627
3300276
-
5570
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME366628
-
-
5816
-
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME366636
134595
-
3935
-
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME366468
301941
-
787
-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
ME366485
-
-
1156
-
(2,4 or 2,5)-dimethylphenol sulfate
-
ME366760
-
-
3474
-
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME366758
9338
-
2575
-
2-aminoadipate
alpha-Aminoadipic acid
ME366482
469
C00956
639.2
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME366733
181670
-
1677
-
2'-deoxyuridine
Deoxyuridine
ME366681
13712
C00526
1586
-
2-ethylphenylsulfate
-
ME366712
-
-
3416
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME366469
164623
-
1800
-
2-hydroxyacetaminophen sulfate*
2-Hydroxyacetaminophen sulfate
ME366744
86290013
-
1674
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME366585
21488
-
4840
-
2-hydroxyfluorene sulfate
-
ME366774
-
-
4372
-
2-hydroxynervonate*
Hydroxynervonic acid
ME366586
5312783
-
6345
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME366587
94180
-
3736.8
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME366588
92836
-
5511.2
-
2-hydroxystearate
2-Hydroxystearic acid
ME366589
69417
C03045
5695
-
2-methoxyacetaminophen glucuronide*
2-Methoxyacetaminophen glucuronide
ME366745
14367271
-
1633
-
2-methoxyacetaminophen sulfate*
2-Methoxyacetaminophen sulfate
ME366746
86290014
-
1949
-
2-methoxyresorcinol sulfate
2-Methylpyrogallol sulfate
ME366734
-
-
1863
-
2-methylcitrate/homocitrate
Homocitric acid
ME366534
-
-
575
-
2-naphthol sulfate
2-Naphthyl sulfate
ME366735
74428
-
3658
-
2'-O-methyluridine
2'-O-Methyluridine
ME366682
102212
-
1831
-
3-(3-amino-3-carboxypropyl)uridine*
3-(3-amino-3-carboxypropyl)uridine
ME366683
171198
-
1369
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME366713
91
C11457
1980
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME366512
9378
C03672
1379
-
3-acetylphenol sulfate
3-Acetylphenol sulfate
ME366736
-
-
2477
-
3beta,7alpha-dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoic acid
ME366670
3081084
C17335
5275
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME366671
165511
C17333
5398
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME366654
92997
-
5205
-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ME366563
194501
-
4000
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME366564
123979
-
2800
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME366470
188979
-
975
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME366590
26612
-
4634.7
-
3-hydroxydodecanedioate*
3-Hydroxy-dodecanedioic acid
ME366565
16663321
-
2252
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME366591
151492
-
1725
-
3-hydroxyhippurate
3-Hydroxyhippuric acid
ME366714
450268
-
1687
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME366592
94216
-
5175
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME366593
26613
-
3446
-
3-hydroxyoleate*
-
ME366594
-
-
5508
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME366737
-
-
1595.5
-
3-indoxyl sulfate
Indoxyl sulfate
ME366498
10258
-
2222.2
-
3-methoxycatechol sulfate (1)
3-Methoxycatechol sulfate
ME366715
-
-
2163
-
3-methoxytyramine sulfate
3-Methoxytyramine sulfate
ME366513
-
-
1722
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME366471
49
C00141
1465
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME366472
47
C00671
2064.2
-
3-methyl catechol sulfate (1)
3-Methylcatechol sulfate
ME366716
-
-
2790
-
3-(methylthio)acetaminophen sulfate*
-
ME366747
-
-
2265
-
3-(N-acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME366748
83967
-
2094
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME366717
107
C05629
2860
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME366496
18189
C02946
894
-
4-acetamidophenol
Acetaminophen
ME366749
1983
C06804
2173.7
-
4-acetamidophenylglucuronide
p-Acetamidophenylglucuronide
ME366750
83944
-
1400
-
4-acetaminophen sulfate
Paracetamol sulfate
ME366751
83939
C06804
1792
-
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME366718
4684006
-
2375
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME366761
-
-
3805
-
4-ethylphenylsulfate
4-Ethylphenol
ME366719
20822574
C13637
3580
-
4-hydroxycoumarin
4-Hydroxycoumarin
ME366756
54682930
C20414
2470
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME366720
151012
-
1475
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME366492
127
C00642
1361
-
4-hydroxyphenylacetylglutamine
4-Hydroxyphenylacetylglutamine
ME366692
-
-
1650
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME366514
979
C01179
1690
-
4-methyl-2-oxopentanoate
Ketoleucine
ME366473
70
C00233
2170
-
4-methylcatechol sulfate
4-Methylcatechol 1-sulfate
ME366721
-
-
2665
-
4-methylguaiacol sulfate
2-Methoxy-4-methylphenol sulfate
ME366722
-
-
2978
-
4-vinylguaiacol sulfate
4-Vinylguaiacol sulfate
ME366762
-
-
3354
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME366723
6426766
C05627
3320
-
5,6-dihydrothymine
Dihydrothymine
ME366680
93556
C00906
1637.8
-
5,6-dihydrouracil
Dihydrouracil
ME366684
649
C00429
1120
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME366685
94312
-
1119
-
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME366652
-
-
3962
-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
-
ME366653
-
-
5060
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME366630
5312378
-
5224
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME366595
170748
-
1267
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME366500
1826
C05635
1510.2
-
5-hydroxyindole sulfate
-
ME366499
-
-
1928
-
5-methyluridine (ribothymidine)
Ribothymidine
ME366686
445408
-
1778.1
-
5-oxoproline
Pyroglutamic acid
ME366461
7405
C01879
738.5
-
6-bromotryptophan
6-Bromotryptophan
ME366501
-
-
3565
-
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME366738
122198196
-
2498
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME366483
3014237
-
965
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME366672
3081085
C17337
5288.1
-
7-hydroxyindole sulfate
-
ME366502
-
-
1765
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME366596
69820
-
2300
-
9,10-DiHOME
9,10-DiHOME
ME366583
9966640
C14828
5180
-
acesulfame
Acesulfame
ME366763
36573
-
1581
-
acisoga
Acisoga
ME366497
129397
-
2297
-
aconitate [cis or trans]
cis-Aconitic acid
ME366535
-
-
580
-
adrenate (22:4n6)
Adrenic acid
ME366605
5497181
C16527
5678
-
alpha-hydroxycaproate
2-Hydroxyhexanoic acid
ME366597
99824
-
1920
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME366474
83697
C03264
1840
-
androstenediol (3alpha, 17alpha) monosulfate (3)
-
ME366538
-
-
5180
-
androstenediol (3beta,17beta) disulfate (1)
4-Androsten-3beta,17beta-diol disulfate
ME366539
87120982
C04295
3740
-
androstenediol (3beta,17beta) disulfate (2)
4-Androsten-3beta,17beta-diol disulfate
ME366540
87120982
C04295
4065
-
androsterone sulfate
5alpha-Androstane-3alpha-ol-17-one sulfate
ME366541
159663
-
5022
-
arachidate (20:0)
Arachidic acid
ME366620
10467
C06425
6240
-
arachidonate (20:4n6)
Arachidonic acid
ME366606
444899
C00219
5535
-
azelate (C9-DC)
Azelaic acid
ME366566
2266
C08261
1276
-
benzoate
Benzoic acid
ME366724
243
C00180
1750
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME366459
72715786
C20775
530
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME366475
69362
-
1027
-
caprate (10:0)
Capric acid
ME366631
2969
C01571
5090.7
-
caproate (6:0)
Caproic acid
ME366632
8892
C01585
2713.7
-
caprylate (8:0)
Caprylic acid
ME366633
379
C06423
4362
-
catechol sulfate
Catechol sulfate
ME366725
3083879
-
1906
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME366503
10981970
-
1777
-
cholate
Cholic acid
ME366642
221493
C00695
5165
-
cinnamoylglycine
Cinnamoylglycine
ME366764
709625
-
3127
-
cis-4-decenoate (10:1n6)*
4Z-Decenoic acid
ME366634
5312351
-
4890
-
corticosterone
Corticosterone
ME366543
5753
C02140
5040
-
cortisol
Cortisol
ME366544
5754
C00735
4710
-
cortisone
Cortisone
ME366545
222786
C00762
4575
-
dehydroepiandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME366542
12594
C04555
4745
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME366607
6439848
C16525
5730
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME366608
5280581
C03242
5596
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME366609
5282807
C16533
6034
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME366610
445580
C06429
5525
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME366611
6441454
C16513
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME366612
6441454
C16513
5624.5
-
dodecadienoate (12:2)*
Dodecadienoic acid
ME366567
-
-
5146
-
dodecanedioate (C12-DC)
Dodecanedioic acid
ME366568
12736
C02678
2990
-
dodecenedioate (C12:1-DC)*
Traumatic acid
ME366569
-
-
2700
-
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME366515
122136
C13690
1556.2
-
dopamine 4-sulfate
Dopamine 4-sulfate
ME366516
123932
C13691
1511
-
eicosanedioate (C20-DC)
Eicosanedioic acid
ME366570
75502
-
5200.9
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME366613
446284
C06428
5450
-
eicosenedioate (C20:1-DC)*
-
ME366571
-
-
5095
-
eicosenoate (20:1)
cis-Gondoic acid
ME366600
5282768
C16526
5950
-
erucate (22:1n9)
cis-Erucic acid
ME366601
5281116
C08316
6355.6
-
eugenol sulfate
Eugenol sulfate
ME366765
180632
-
3782
-
Fibrinopeptide A (2-15)**
-
ME366698
-
-
2120
-
Fibrinopeptide A (3-15)**
-
ME366699
-
-
2419
-
Fibrinopeptide A (3-16)**
-
ME366700
-
-
2786
-
Fibrinopeptide A (4-15)**
-
ME366701
-
-
2570
-
Fibrinopeptide A (5-16)*
-
ME366702
-
-
2850
-
Fibrinopeptide A (7-16)*
-
ME366703
-
-
3258
-
Fibrinopeptide A (8-16)**
-
ME366704
-
-
3944
-
Fibrinopeptide A, des-ala(1)*
-
ME366705
-
-
2535
-
Fibrinopeptide B (1-11)**
-
ME366706
-
-
2389
-
Fibrinopeptide B (1-12)**
-
ME366707
-
-
2366
-
Fibrinopeptide B (1-13)**
-
ME366708
-
-
2482
-
gamma-CEHC
gamma-CEHC
ME366532
133098
-
3843
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME366709
94340
-
1240
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME366710
7015683
-
1072
-
glucuronide of C12H22O4 (1)*
-
ME366690
-
-
2590
-
glucuronide of C14H26O4 (1)*
-
ME366691
-
-
3200
-
glu-gly-asn-val**
-
ME366711
-
-
1000
-
glycerol
Glycerol
ME366598
753
C00116
758
-
glyco-alpha-muricholate**
-
ME366643
-
-
4734
-
glyco-beta-muricholate**
Gly-betaMCA
ME366644
-
-
4762
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME366645
12544
C05466
5236.1
-
glycochenodeoxycholate 3-sulfate
Glycochenodeoxycholic acid 3-sulfate
ME366646
-
-
4820
-
glycochenodeoxycholate glucuronide (1)
Glycochenodeoxycholic acid 3-glucuronide
ME366647
-
-
4806
-
glycocholate
Glycocholic acid
ME366648
10140
C01921
5163
-
glycocholenate sulfate*
Glycocholenate sulfate
ME366655
-
-
4750
-
glycodeoxycholate 3-sulfate
Glycodeoxycholic acid 3-sulfate
ME366656
-
-
4875
-
glycohyocholate
Glycohyocholic acid
ME366657
-
-
5020
-
glycolithocholate
Glycolithocholic acid
ME366658
115245
C15557
5357.1
-
glycolithocholate sulfate*
Sulfoglycolithocholic acid
ME366659
72222
C11301
5011
-
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME366660
12310288
-
5033
-
guaiacol sulfate
Guaiacol sulfate
ME366726
22473
-
2344
-
heneicosapentaenoate (21:5n3)
6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid
ME366614
11998573
-
5514
-
heptanoate (7:0)
Heptylic acid
ME366635
8094
C17714
3670
-
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME366615
13932172
-
5398
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME366572
10459
C19615
4615
-
hexadecenedioate (C16:1-DC)*
-
ME366573
-
-
4380
-
hexanoylglutamine
Hexanoylglutamine
ME366557
-
-
2780
-
hexanoylglycine
Hexanoylglycine
ME366558
99463
-
2900
-
hippurate
Hippuric acid
ME366727
464
C01586
2106.9
-
histidine
Histidine
ME366463
6274
C00135
755.9
-
homovanillate (HVA)
Homovanillic acid
ME366517
1738
C05582
1649
-
hydroquinone sulfate
Quinol sulfate
ME366759
161220
C00530
1395
-
hydroxy-CMPF*
-
ME366574
-
-
1516
-
hypoxanthine
Hypoxanthine
ME366673
790
C00262
1291.2
-
indole-3-carboxylate
Indole-3-carboxylic acid
ME366504
69867
C19837
1710
-
indoleacetate
Indoleacetic acid
ME366505
802
C00954
2200
-
indolelactate
Indolelactic acid
ME366506
92904
C02043
2286
-
indolepropionate
3-Indolepropionic acid
ME366507
3744
-
2795
-
indolepropionylglycine
Indolepropionylglycine
ME366508
7677842
-
2926
-
inosine
Inosine
ME366674
6021
C00294
1602.1
-
isobutyrylglycine
Isobutyrylglycine
ME366476
10855600
-
1420
-
isoeugenol sulfate
Isoeugenol sulfate
ME366766
-
-
3893
-
isoleucylglycine
Ile-Gly
ME366695
342532
-
1992
-
isoursodeoxycholate
Isoursodeoxycholic acid
ME366661
127601
C17662
4809
-
isovalerate (i5:0)
Isovaleric acid
ME366477
10430
C08262
1564
-
isovalerylglycine
Isovalerylglycine
ME366478
546304
-
1950
-
kynurenate
Kynurenic acid
ME366509
3845
C01717
2224
-
linoleate (18:2n6)
Linoleic acid
ME366616
5280450
C01595
5535
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME366617
5280934
C06426
5450
-
lithocholate sulfate (1)
Lithocholic acid sulfate
ME366662
-
-
4811
-
malate
Malic acid
ME366536
525
C00149
615.6
-
margarate (17:0)
Margaric acid
ME366621
10465
-
5731
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME366728
-
-
2873
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME366767
-
-
1070
-
methylnaphthyl sulfate (1)*
-
ME366739
-
-
4117
-
methylnaphthyl sulfate (2)*
-
ME366740
-
-
4163
-
metronidazole
Metronidazole
ME366753
4173
D00409
2339
-
myristate (14:0)
Myristic acid
ME366622
11005
C06424
5440
-
myristoleate (14:1n5)
Myristoleic acid
ME366602
5281119
C08322
5346.9
-
N-(2-furoyl)glycine
2-Furoylglycine
ME366768
21863
-
1525
-
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME366528
65977
-
1367
-
N4-acetyl-5-hydroxysulfamethoxazole*
-
ME366754
-
-
1745
-
N4-acetylcytidine
N4-Acetylcytidine
ME366679
107461
-
2040
-
N4-acetylsulfamethoxazole*
N-Acetylsulfamethoxazole
ME366755
65280
C13061,D01601
2489
-
N6-acetyllysine
N6-Acetyllysine
ME366484
92832
C02727
1059
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME366677
161466
-
2164
-
N6-succinyladenosine
Succinyladenosine
ME366678
165243
-
940
-
N-acetyl-2-aminooctanoate*
N-Acetyl-2-aminooctanoic acid
ME366562
95555
-
3943
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME366458
65065
C01042
620.5
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME366460
5255
C12270
575.3
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME366687
76406
C01073
773
-
N-acetylcarnosine
N-Acetylcarnosine
ME366464
9903482
-
1235
-
N-acetylisoleucine
N-Acetylisoleucine
ME366479
306109
-
2325
-
N-acetylleucine
N-Acetylleucine
ME366480
70912
C02710
2400
-
N-acetylmethionine
N-Acetylmethionine
ME366486
448580
C02712
1787
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME366493
74839
C03519
2597
-
N-acetyltaurine
N-Acetyltaurine
ME366487
159864
-
800
-
N-acetylthreonine
N-Acetylthreonine
ME366462
152204
-
821.6
-
N-acetyltyrosine
N-Acetyltyrosine
ME366518
68310
-
1680
-
N-acetylvaline
N-Acetylvaline
ME366481
66789
-
1704
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME366527
9920500
-
858
-
N-formylanthranilic acid
Formylanthranilic acid
ME366510
101399
C05653
2150
-
N-formylmethionine
N-Formylmethionine
ME366488
439750
C03145
1543.8
-
N-formylphenylalanine
N-Formylphenylalanine
ME366519
759256
-
2360
-
N-linoleoylserine*
-
ME366561
-
-
5492
-
N-linoleoyltaurine*
N-Linoleoyl taurine
ME366551
-
-
5505
-
N-oleoylserine
NA-Ser 18:1(9Z)
ME366552
-
-
5600
-
nonadecanoate (19:0)
Nonadecylic acid
ME366623
12591
C16535
6068
-
N-palmitoylglycine
N-Palmitoyl glycine
ME366559
151008
-
5580
-
N-palmitoylserine
N-Palmitoyl serine
ME366553
6453686
-
5557
-
N-stearoylserine*
N-Stearoyl serine
ME366554
-
-
5777
-
N-stearoyltaurine
N-Stearoyl taurine
ME366555
168274
-
5782
-
o-cresol sulfate
o-Cresol sulfate
ME366729
11615528
-
2796
-
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME366575
-
-
4676
-
octadecanedioate (C18-DC)
Octadecanedioic acid
ME366576
70095
-
5043
-
octadecenedioate (C18:1-DC)
Octadecenedioic acid
ME366577
-
-
4875
-
oleate/vaccenate (18:1)
Oleic acid
ME366603
-
-
5655
-
oleoyl ethanolamide
Oleoyl-EA
ME366556
5283454
-
6450
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME366741
514186
-
990
-
oxalate (ethanedioate)
Oxalic acid
ME366530
971
C00209
603
-
palmitate (16:0)
Palmitic acid
ME366624
985
C00249
5618
-
palmitoleate (16:1n7)
Palmitoleic acid
ME366604
445638
C08362
5475
-
pantothenate
Pantothenic acid
ME366531
6613
C00864
1498.7
-
p-cresol glucuronide*
P-Cresol glucuronide
ME366520
154035
-
2420
-
p-cresol sulfate
p-Cresol sulfate
ME366730
4615423
-
2890
-
perfluorooctanoate (PFOA)
Perfluorooctanoic acid
ME366742
9554
-
5130
-
phenol glucuronide
Phenyl glucuronide
ME366521
87235
-
1800
-
phenol sulfate
Phenyl hydrogen sulfate
ME366522
74426
C02180
2156
-
phenylacetate
Phenyl acetate
ME366494
999
C07086
2150
-
phenylacetylglutamate
N-Phenylacetylglutamic acid
ME366693
11579826
-
1570
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME366694
92258
C04148
2330
-
phenyllactate (PLA)
Phenyllactic acid
ME366495
3848
C05607
2208
-
pregnenediol disulfate (C21H34O8S2)*
-
ME366637
-
-
3868
-
pregnenediol sulfate (C21H34O5S)*
Pregnenolone sulfate
ME366638
-
-
5000
-
pregnenetriol disulfate*
-
ME366639
-
-
3504
-
pregnenetriol sulfate*
-
ME366640
-
-
4749
-
pregnenolone sulfate
Pregnenolone sulfate
ME366641
105074
-
5100
-
propionylglycine
Propionylglycine
ME366560
98681
-
960
-
propyl 4-hydroxybenzoate sulfate
Propylparaben sulfate
ME366731
-
-
3971
-
pseudouridine
Pseudouridine
ME366688
15047
C02067
1100
-
pyridoxate
4-Pyridoxic acid
ME366533
6723
C00847
2185
-
pyrraline
Pyrraline
ME366769
122228
-
2304
-
saccharin
Saccharin
ME366770
5143
D01085
2000
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME366489
439155
C00021
1832.4
-
salicyluric glucuronide*
Salicyluric glucuronide
ME366752
-
-
1463
-
S-methylcysteine
Methylcysteine
ME366490
24417
-
880
-
stearate (18:0)
Stearic acid
ME366625
5281
C01530
5872
-
stearidonate (18:4n3)
Stearidonic acid
ME366618
5312508
C16300
5395
-
sulfate*
Sulfate
ME366743
1118
C00059
616
-
syringol sulfate
Syringol sulfate
ME366771
-
-
2395
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME366772
45
C02287
610
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME366649
168408
-
4774
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME366650
387316
C05465
5250
-
taurochenodeoxycholic acid 3-sulfate
Taurochenodeoxycholic acid 3-sulfate
ME366663
-
-
4809
-
taurocholate
Taurocholic acid
ME366651
6675
C05122
5150
-
taurocholenate sulfate*
Taurocholenate sulfate
ME366664
-
-
4750
-
taurodeoxycholic acid 3-sulfate
Taurodeoxycholic acid 3-sulfate
ME366665
-
-
4850
-
taurohyocholate*
Taurohyocholic acid
ME366666
-
-
5000
-
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME366667
440071
C03642
5027
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME366668
9848818
-
5025
-
tetradecadienedioate (C14:2-DC)*
-
ME366578
-
-
3148
-
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME366619
5312409
-
5292
-
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME366579
13185
-
3985
-
tetrahydrocortisol sulfate (1)
-
ME366546
-
-
4276
-
threonylphenylalanine
Thr-Phe
ME366696
4099799
-
2322
-
thromboxane B2
TXB2
ME366550
5283137
C05963
4526
-
thymol sulfate
-
ME366773
-
C09908
4410
-
thyroxine
Thyroxine
ME366523
5819
C01829
4808
-
tridecenedioate (C13:1-DC)*
-
ME366580
-
-
3051
-
tyramine O-sulfate
Tyramine-O-sulfate
ME366524
153005
-
1565
-
undecanedioate (C11-DC)
Undecanedioic acid
ME366581
15816
-
2440
-
urate
Uric acid
ME366675
1175
C00366
757.1
-
uridine
Uridine
ME366689
6029
C00299
1457.6
-
valerate (5:0)
Valeric acid
ME366669
7991
C00803
1718
-
valylglycine
Val-Gly
ME366697
136487
-
1506
-
vanillactate
Vanillactic acid
ME366525
160637
-
1625
-
vanillylmandelate (VMA)
Vanillylmandelic acid
ME366526
1245
C05584
941
-
xanthosine
Xanthosine
ME366676
64959
C01762
1075
-
Analysis: Reversed phase UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-arachidonoyl-GPA (20:4)
LPA 20:4/0:0
ME366833
-
-
1393
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME366834
-
-
1441
-
1-methylurate
1-Methyluric acid
ME366856
69726
C16359
1900
-
1-oleoyl-GPA (18:1)
LPA 18:1/0:0
ME366835
5497152
-
1433
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME366836
6419701
C04036
1445
-
2,2'-Methylenebis(6-tert-butyl-p-cresol)
2,2'-Methylenebis(6-tert-butyl-p-cresol)
ME366846
8398
-
703
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME366849
677
C04039
1050
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME366817
193530
C02360
3000
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME366778
-
-
1258
-
2-hydroxyheptanoate*
2-Hydroxy enanthoic acid
ME366828
2750949
-
925
-
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME366845
10253
C07588
1123.9
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME366788
11970
C05852
858.6
-
2-isopropylmalate
2-Isopropylmalic acid
ME366850
77
C02504
2605
-
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME366851
161227
C00204
1900
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME366826
10964471
-
1660
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME366827
-
-
2204
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME366837
1662
C03761
2850
-
3-hydroxyadipate*
3-Hydroxy-adipic acid
ME366818
151913
-
3131
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME366832
441
C01089
1480
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME366781
87
C06001
1619
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME366829
3017884
-
2411
-
3-methyladipate
3-Methyladipic acid
ME366819
12292
-
2865
-
3-methylglutaconate
3E-Methylglutaconic acid
ME366782
1551553
-
2700
-
3-sulfo-L-alanine
Cysteic acid
ME366786
72886
C00506
2890
-
allantoin
Allantoin
ME366838
204
C02350
1672
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME366783
99823
-
1052
-
alpha-ketobutyrate
3-Methyl pyruvic acid
ME366787
58
C00109
940
-
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME366777
48
-
1916
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME366813
51
C00026
2700
-
arabinose
Arabinose
ME366803
66308
C00216
1804.5
-
arabitol/xylitol
Arabitol
ME366804
-
-
1932.4
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME366805
-
-
2700
-
dihydroorotate
4,5-Dihydroorotic acid
ME366840
648
C00337
1910
-
erythritol
Erythritol
ME366852
222285
C00503
1491
-
erythronate*
Erythronic acid
ME366792
2781043
-
2186
-
ethylmalonate
Ethylmalonic acid
ME366784
11756
-
2785
-
Fibrinopeptide B (1-9)**
-
ME366844
-
-
4416
-
fructose
Fructose
ME366794
5984
C00095
2065
-
fumarate
Fumaric acid
ME366814
444972
C00122
3084
-
galactonate
Galactonic acid
ME366795
128869
C00880
3085
-
gentisate
Gentisic acid
ME366790
3469
C00628
905
-
gluconate
Gluconic acid
ME366853
10690
C00257
2922
-
glucose
Glucose
ME366799
5793
C00031
2342
-
glucuronate
Glucuronic acid
ME366793
444791
C00191
3233.3
-
glutarate (C5-DC)
Glutaric acid
ME366820
743
C00489
2900
-
glycerate
Glyceric acid
ME366800
752
C00258
2070.4
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME366830
439964
C03274
2430
-
gulonate*
Gulonic acid
ME366811
152304
C00257
2750
-
heptenedioate (C7:1-DC)*
Heptenedioic acid
ME366821
-
-
2816
-
homocitrulline
Homocitrulline
ME366791
65072
C02427
3006.8
-
hydantoin-5-propionate
Hydantoin-5-propionic acid
ME366780
782
C05565
2080
-
lactate
Lactic acid
ME366801
612
C00186
1469
-
maleate
Maleic acid
ME366822
444266
C01384
2640
-
maltose
Maltose
ME366798
10991489
C00208
3329.4
-
mannitol/sorbitol
Sorbitol
ME366796
5780
C00794
2320
-
mannonate*
Mannonic acid
ME366854
3246006
-
2736
-
mannose
Mannose
ME366797
18950
C00159
2200
-
methylmalonate (MMA)
Methylmalonic acid
ME366816
487
C02170
3078.4
-
methylsuccinate
Methylsuccinic acid
ME366785
10349
-
2800
-
myo-inositol
Myo-inositol
ME366831
892
C00137
3506.3
-
N-acetylalanine
N-Acetylalanine
ME366776
88064
C02847
1564.8
-
N-acetylserine
N-Acetylserine
ME366779
65249
-
2000
-
orotate
Orotic acid
ME366841
967
C00295
1638.1
-
orotidine
Orotidine
ME366842
92751
-
2250
-
perfluorooctanesulfonate (PFOS)
Perfluorooctanesulfonic acid
ME366847
74483
C18142
662
-
phenylpyruvate
Phenylpyruvic acid
ME366789
997
C00166
845
-
pimelate (C7-DC)
Pimelic acid
ME366823
385
C02656
2745
-
pyruvate
Pyruvic acid
ME366802
1060
C00022
1083
-
quinate
Quinic acid
ME366855
6508
C00296
2432.9
-
ribitol
Ribitol
ME366806
6912
C00474
1789.6
-
ribonate
Ribonic acid
ME366807
5460677
C01685
2425
-
ribose
Ribose
ME366808
5779
C00121
1508.2
-
ribulonate/xylulonate/lyxonate*
-
ME366809
-
-
2350
-
salicylate
Salicylic acid
ME366848
338
C00805
802
-
sebacate (C10-DC)
Sebacic acid
ME366824
5192
C08277
2147
-
suberate (C8-DC)
Suberic acid
ME366825
10457
C08278
2577.6
-
succinate
Succinic acid
ME366815
1110
C00042
3149
-
threonate
Threonic acid
ME366812
151152
C01620
2384
-
uracil
Uracil
ME366843
1174
C00106
1089.7
-
xanthine
Xanthine
ME366839
1188
C00385
2023
-
xylose
Xylose
ME366810
135191
C00181
1727
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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