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Return to study ST001412 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
2-piperidinone
2-Piperidinone
ME324732
12665
-
1675
100.07569
alpha-ketobutyrate
3-Methyl pyruvic acid
ME324881
58
C00109
940
101.02442
isovalerate (i5:0)
Isovaleric acid
ME325163
10430
C08262
1564
101.0608
malonate
Malonic acid
ME325190
867
C00383
3447
103.00368
acetoacetate
Acetoacetic acid
ME324861
96
C00164
1062
103.03898
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME324707
-
-
1258
103.04006
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME324757
441
C01089
1480
103.04007
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME324765
87
C06001
1619
103.04007
2-aminobutyrate
2-Aminobutyric acid
ME324699
439691
C02261
2059
104.07061
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME324747
64956
C05145
2190
104.07061
dimethylglycine
Dimethylglycine
ME325003
673
C01026
1104
104.07061
choline
Choline
ME324955
305
C00114
1961
104.10699
glycerate
Glyceric acid
ME325091
752
C00258
2070.4
105.01933
serine
Serine
ME325397
5951
C00065
1239
106.04987
hypotaurine
Hypotaurine
ME325143
107812
C00519
724
110.02703
2'-deoxyuridine
Deoxyuridine
ME324689
13712
C00526
1586
111.01997
uracil
Uracil
ME325464
1174
C00106
1089.7
111.02
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME325386
1196
C04322
1528
114.05496
creatinine
Creatinine
ME324971
588
C00791
2055
114.06619
fumarate
Fumaric acid
ME325050
444972
C00122
3084
115.00368
maleate
Maleic acid
ME325189
444266
C01384
2640
115.00368
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME324781
49
C00141
1465
115.04006
levulinate (4-oxovalerate)
Levulinic acid
ME325178
11579
-
934.6
115.04006
caproate (6:0)
Caproic acid
ME324937
8892
C01585
2713.7
115.07645
3-amino-2-piperidone
3-Amino-2-piperidone
ME324746
5200225
-
2065
115.08659
succinimide
Succinimide
ME325416
11439
C07273
2155
116.03532
proline
Proline
ME325359
145742
C00148
1603
116.07061
methylmalonate (MMA)
Methylmalonic acid
ME325208
487
C02170
3078.4
117.01933
succinate
Succinic acid
ME325415
1110
C00042
603
117.01933
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME324753
188979
-
975
117.05571
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME324880
99823
-
1126
117.05571
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME324916
69362
-
1027
117.05572
N-acetylglycine
N-Acetylglycine
ME325237
10972
-
826
118.04987
allo-threonine
Allothreonine
ME324874
99289
C05519
2511.1
118.05096
guanidinoacetate
Guanidoacetic acid
ME325116
763
C00581
1937
118.06111
betaine
Betaine
ME324919
247
C00719
1064
118.08626
N,N-dimethylalanine
N,N-Dimethylalanine
ME325220
5488191
-
1370
118.08626
valine
Valine
ME325469
6287
C00183
2479
118.08626
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME325426
45
C02287
610
118.99859
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME324735
13120901
-
1543
119.03498
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME324736
10964471
-
1660
119.03498
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME324737
-
-
2204
119.03498
2-methylserine
2-Methylserine
ME324729
94309
C02115
1652
120.06552
threonine
Threonine
ME325443
6288
C00188
1514
120.06552
benzoate
Benzoic acid
ME324912
243
C00180
1750
121.0295
urea
Urea
ME325466
1176
C00086
700
121.07201
cysteine
Cysteine
ME324974
5862
C00097
1475
122.02703
nicotinamide
Niacinamide
ME325285
936
C00153
1942
123.05529
picolinate
Picolinic acid
ME325343
1018
C10164
910
124.03931
taurine
Taurine
ME325427
1123
C00245
660
126.02195
5,6-dihydrothymine
Dihydrothymine
ME324825
93556
C00906
1637.8
127.0513
5-oxoproline
Pyroglutamic acid
ME324838
7405
C01879
738.5
128.03531
citraconate/glutaconate
Citraconic acid/Glutaconic acid
ME324963
-
-
2600
129.0194
4-methyl-2-oxopentanoate
Ketoleucine
ME324820
70
C00233
2170
129.05571
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME324782
47
C00671
2064.2
129.05572
pyroglutamine*
Pyroglutamine
ME325367
134508
-
1900
129.06586
heptanoate (7:0)
Heptylic acid
ME325120
8094
C17714
3670
129.0921
(S)-a-amino-omega-caprolactam
L-2-aminohexano-6-lactam
ME324650
439823
C05328
2378
129.10224
N-acetylalanine
N-Acetylalanine
ME325226
88064
C02847
1564.8
130.05096
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME325224
76406
C01073
773
130.05096
propionylglycine
Propionylglycine
ME325362
98681
-
960
130.05096
N-methylproline
N-Methyl-proline
ME325258
557
-
1335
130.08626
pipecolate
Pipecolic acid
ME325348
849
C00408
2200
130.08626
metformin
Metformin
ME325201
4091
C07151
2817
130.10873
ethylmalonate
Ethylmalonic acid
ME325030
11756
-
2785
131.03498
glutarate (C5-DC)
Glutaric acid
ME325088
743
C00489
2900
131.03498
methylsuccinate
Methylsuccinic acid
ME325209
10349
-
2800
131.03498
3-ureidopropionate
Ureidopropionic acid
ME324793
111
C02642
2230
131.04621
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME324703
164623
-
1800
131.07136
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME324762
151492
-
1725
131.07136
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME324834
170748
-
1267
131.07136
alpha-hydroxycaproate
2-Hydroxyhexanoic acid
ME324878
99824
-
1920
131.07136
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME324879
83697
C03264
1840
131.07136
N-acetylputrescine
N-Acetylputrescine
ME325243
122356
C02714
2230
131.11789
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME325450
5810
C01157
1064
132.06552
creatine
Creatine
ME324970
586
C00300
1947
132.07676
isoleucine
Isoleucine
ME325161
6306
C00407
2800
132.10191
leucine
Leucine
ME325174
-
-
2864
132.10191
malate
Malic acid
ME325188
525
C00149
615.6
133.01425
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME324692
301941
-
787
133.05063
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME324694
677
C04039
1050
133.05063
asparagine
Asparagine
ME324907
6267
C00152
1225
133.06077
ornithine
Ornithine
ME325307
6262
C00077
2800
133.09716
thioproline
Thioproline
ME325441
93176
-
1250
134.02703
S-methylcysteine
Methylcysteine
ME325389
24417
-
880
134.02812
aspartate
Aspartic acid
ME324908
5960
C00049
1165
134.04479
iminodiacetate (IDA)
Iminodiacetate
ME325149
8897
C19911
830
134.04479
indolin-2-one
Indolin-2-one
ME325154
321710
C12312
2575
134.06004
erythronate*
Erythronic acid
ME325027
2781043
-
2186
135.02989
threonate
Threonic acid
ME325442
151152
C01620
2384
135.02989
allopurinol
Allopurinol
ME324875
2094
-
1530
135.03123
hypoxanthine
Hypoxanthine
ME325144
790
C00262
1291.2
135.03123
adenine
Adenine
ME324865
190
C00147
2221
136.06178
salicylate
Salicylic acid
ME325392
338
C00805
802
137.02422
1-methylnicotinamide
1-Methyl nicotinamide
ME324667
457
C02918
1940
137.07094
N-methyltaurine
N-Methyltaurine
ME325259
7882
-
1650
138.02303
trigonelline (N'-methylnicotinate)
Trigonelline
ME325455
5570
C01004
1388
138.05496
trans-urocanate
Urocanic acid
ME325451
736715
C00785
2285
139.05021
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME324664
75810
C05828
2064
141.06586
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME324665
6451814
-
1989
141.06586
imidazole propionate
Imidazole propanoate
ME325148
70630
-
2263
141.06586
3,4-methyleneheptanoate
-
ME324738
-
-
3807
141.0921
phosphoethanolamine
Phosphoethanolamine
ME325341
1015
C00346
700
142.02638
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME324852
3014237
-
965
142.05096
ectoine
Ectoine
ME325016
126041
C06231
1980
143.08151
caprylate (8:0)
Caprylic acid
ME324938
379
C06423
4362
143.10775
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME324882
48
-
1916
144.03023
butyrylglycine
N-Butyrylglycine
ME324932
88412
-
1470
144.06661
isobutyrylglycine
Isobutyrylglycine
ME325158
10855600
-
1420
144.06661
N-methylpipecolate
N-methyl pipecolic acid
ME325257
11286529
-
1932
144.10191
stachydrine
Stachydrine
ME325407
115244
C10172
1440
144.10191
alpha-ketoglutarate
2-Oxoglutaric acid
ME324883
51
C00026
2700
145.01425
3-methylglutarate/2-methylglutarate
Methylglutaric acid
ME324786
-
-
2832
145.05063
N-oxalyl glycine (NOG)
-
ME325262
3080614
-
3292
146.00949
N-acetylserine
N-Acetylserine
ME325244
65249
-
2000
146.04588
3-formylindole
1H-Indole-3-carboxaldehyde
ME324752
10256
C08493
2736
146.06004
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME324798
18189
C02946
1350
146.08117
N-methylhydroxyproline**
N-Methyl-4-hydroxyproline
ME325256
-
-
1145
146.08118
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME324809
500
C01035
2320
146.09241
2-aminoheptanoate
2-Aminoheptanoic acid
ME324700
227939
-
3160
146.11756
deoxycarnitine
3-Dehydroxycarnitine
ME324985
134
C01181
2052
146.11756
spermidine
Spermidine
ME325400
1102
C00315
3355
146.16518
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME324709
43
C02630
3352.8
147.02989
pantoate
(R)-Pantoic acid
ME325322
439251
C00522
1143
147.06628
glutamine
Glutamine
ME325084
5961
C00064
1291
147.07642
lysine
Lysine
ME325187
5962
C00047
2850
147.11281
glutamate
Glutamic acid
ME325083
611
C00025
1500
148.06044
2-hydroxy-4-(methylthio)butanoic acid
2-Hydroxy-4-(methylthio)butanoic acid
ME324704
-
-
1065
149.02778
hydroxyasparagine**
Hydroxyasparagine
ME325139
97663
C03124
1149
149.05568
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME324790
107
C05629
2860
149.0608
4-acetamidophenol
Acetaminophen
ME324799
1983
C06804
2173.7
150.05605
methionine
Methionine
ME325202
6137
C00073
2526
150.05833
oxypurinol
Oxypurinol
ME325311
4644
D02365
1656
151.02615
xanthine
Xanthine
ME325479
1188
C00385
2023
151.02615
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME324717
11970
C05852
858.6
151.04006
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME324816
127
C00642
1361
151.04007
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME325267
69698
C05842
1668
151.0513
ribitol
Ribitol
ME325379
6912
C00474
1789.6
151.06119
arabitol/xylitol
Arabitol
ME324895
6912
C01904
1932.4
151.0612
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME325390
82142
-
900
152.03759
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME324696
9338
-
2575
153.01933
gentisate
Gentisic acid
ME325074
3469
C00628
905
153.01933
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME325268
440810
C05843
1260
153.06586
histidine
Histidine
ME325129
6274
C00135
755.9
154.0622
orotate
Orotic acid
ME325308
967
C00295
1638.1
155.00983
dihydroorotate
4,5-Dihydroorotic acid
ME324999
648
C00337
1910
157.02548
allantoin
Allantoin
ME324872
204
C02350
1672
157.03671
heptenedioate (C7:1-DC)*
-
ME325121
-
-
2816
157.05063
imidazole lactate
Imidazolelactic acid
ME325147
793
C05568
2040
157.06077
2-ketocaprylate
2-Keto-octanoic acid
ME324723
67600
-
3951
157.08701
pelargonate (9:0)
Pelargonic acid
ME325327
8158
C01601
4798
157.1234
isovalerylglycine
Isovalerylglycine
ME325165
546304
-
1950
158.08226
N-acetylvaline
N-Acetylvaline
ME325250
66789
-
1704
158.08226
homostachydrine*
(S)-Homostachydrine
ME325133
441447
C08283
1750
158.11756
3-methyladipate
3-Methyladipic acid
ME324783
12292
-
2865
159.06628
pimelate (C7-DC)
Pimelic acid
ME325345
385
C02656
2745
159.06628
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME324715
94180
-
3736.8
159.10266
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME324768
26613
-
3446
159.10266
3-hydroxybutyroylglycine**
-
ME324758
-
-
889
160.06152
2-aminoadipate
alpha-Aminoadipic acid
ME324698
469
C00956
3500
160.06153
N-acetylthreonine
N-Acetylthreonine
ME325247
152204
-
821.6
160.06153
O-acetylhomoserine
O-Acetyl-homoserine
ME325290
439389
C01077
1850
160.06153
2-methylbutyrylglycine
2-Methylbutyrylglycine
ME324728
193872
-
2000
160.09682
3-hydroxystachydrine*
3-Hydroxystachydrine
ME324773
442640
-
1049
160.09682
betonicine
Betonicine
ME324920
164642
C08269
1012
160.09682
2-aminooctanoate
2-Aminocaprylic acid
ME324701
69522
-
750
160.13321
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME325218
-
-
2186
160.13321
4-hydroxy-2-oxoglutaric acid
4-Hydroxy-2-oxoglutaric acid
ME324811
599
C01127
3073
161.00916
4-hydroxycoumarin
4-Hydroxycoumarin
ME324813
54682930
C20414
2470
161.02441
3-hydroxyadipate*
3-Hydroxy-adipic acid
ME324756
151913
-
3131
161.04554
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME324755
1662
C03761
2850
161.04555
N6-methyllysine
N(6)-Methyllysine
ME325281
164795
C02728
2831
161.12846
acesulfame
Acesulfame
ME324860
36573
-
1581
161.98665
S-allylcysteine
S-Allylcysteine
ME325388
98280
-
2690
162.05833
carnitine
Carnitine
ME324941
10917
C00318
1978
162.11247
phenylpyruvate
Phenylpyruvic acid
ME325339
997
C00166
2515
163.04007
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME324655
64960
C07326
802
163.06119
5-hydroxylysine
5-Hydroxylysine
ME324835
1029
C16741
2790
163.10772
N-formylanthranilic acid
Formylanthranilic acid
ME325254
101399
C05653
2150
164.03531
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME324814
439902
C03079
1141
164.05535
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME324896
-
-
2700
165.04046
pentose acid*
Valeric acid
ME325329
-
-
2180
165.04046
ribonate
Ribonic acid
ME325381
5460677
C01685
2425
165.04046
ribulonate/xylulonate/lyxonate*
-
ME325382
-
-
2350
165.04046
1-methylxanthine
1-Methylxanthine
ME324669
80220
C16358
1568.8
165.0418
3-methylxanthine
3-Methylxanthine
ME324789
70639
C16357
1700
165.0418
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME324742
91
C11457
1980
165.05571
phenyllactate (PLA)
Phenyllactic acid
ME325338
3848
C05607
2208
165.05571
N-acetyltaurine
N-Acetyltaurine
ME325245
159864
-
800
166.01795
methionine sulfoxide
Methionine sulfoxide
ME325204
158980
C02989
1272
166.05325
7-methylguanine
7-Methylguanine
ME324854
11361
C02242
2175
166.07234
phenylalanine
Phenylalanine
ME325335
6140
C00079
2878
166.08626
urate
Uric acid
ME325465
1175
C00366
757.1
167.02106
erythritol
Erythritol
ME325026
222285
C00503
1491
167.05611
7-methylxanthine
7-Methylxanthine
ME324856
68374
C16353
1350
167.05636
3-sulfo-L-alanine
Cysteic acid
ME324792
72886
C00506
2890
167.99722
quinolinate
Quinolinic acid
ME325372
1066
C03722
845
168.02914
N-(2-furoyl)glycine
2-Furoylglycine
ME325221
21863
-
1525
168.03023
pyridoxal
Pyridoxal
ME325365
1050
C00250
2343
168.06552
1-methylhistidine
1-Methylhistidine
ME324666
92105
C01152
1227
168.07785
3-methylhistidine
3-Methylhistidine
ME324788
64969
C01152
906.3
168.07785
(2 or 3)-decenoate (10:1n7 or n8)
Decenoic acid
ME324645
-
-
4990
169.1234
branched-chain, straight-chain, or cyclopropyl 10:...
Decenoic acid
ME324926
-
-
4805
169.1234
branched-chain, straight-chain, or cyclopropyl 10:...
-
ME324927
-
-
4853
169.1234
branched-chain, straight-chain, or cyclopropyl 10:...
-
ME324928
-
-
4931
169.1234
cis-4-decenoate (10:1n6)*
4Z-Decenoic acid
ME324959
5312351
-
4890
169.1234
trans-2-hexenoylglycine
-
ME325449
-
-
2707
170.08226
gabapentin
Gabapentin
ME325051
3446
D00332
2407.4
170.11865
hydantoin-5-propionate
Hydantoin-5-propionic acid
ME325134
782
C05565
2080
171.04113
caprate (10:0)
Capric acid
ME324936
2969
C01571
5090.7
171.13905
N-acetylleucine
N-Acetylleucine
ME325239
70912
C02710
2400
172.09791
phenol sulfate
Phenyl hydrogen sulfate
ME325332
74426
C02180
2156
172.9914
aconitate [cis or trans]
cis-Aconitic acid
ME324864
-
-
580
173.00916
isocitric lactone
Isocitric acid lactone
ME325160
98259
-
2970
173.00916
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME325093
754
C00093
580
173.02095
N-acetylasparagine
N-Acetylasparagine
ME325229
99715
-
2250
173.05678
suberate (C8-DC)
Suberic acid
ME325413
10457
C08278
2577.6
173.08193
prolylglycine
Pro-Gly
ME325360
6426709
-
2136
173.09207
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME325252
9920500
-
858
173.09316
valylglycine
Val-Gly
ME325471
136487
-
1519
173.09316
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME324771
-
-
1595.5
173.98665
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME325230
65065
C01042
3143
174.04079
guanidinosuccinate
Guanidinosuccinic acid
ME325117
97856
C03139
3550
174.05203
indoleacetate
Indoleacetic acid
ME325150
802
C00954
2200
174.05605
2-oxoarginine*
2-Oxoarginine
ME324731
558
C03771
1760
174.08732
N-carbamoylaspartate
N-Carbamoylaspartic acid
ME325251
93072
C00438
3800
175.03604
2-isopropylmalate
2-Isopropylmalic acid
ME324721
77
C02504
2605
175.06119
formiminoglutamate
Formiminoglutamic acid
ME325047
439233
C00439
1880
175.07134
theanine
N(5)-Ethyl-glutamine
ME325438
439378
C01047
2180
175.10772
arginine
Arginine
ME324903
232
C00062
2825
175.11896
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME325278
193344
C05545
2831
175.14411
N-formylmethionine
N-Formylmethionine
ME325255
439750
C03145
1543.8
176.03869
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME324939
2572
-
2085
176.09174
argininate*
Argininic acid
ME324902
160437
-
2150
176.10297
citrulline
Citrulline
ME324965
9750
C00327
1520
176.10297
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
ME324693
-
-
1156
177.0227
ascorbate (Vitamin C)
Vitamin C
ME324904
54670067
C00072
770
177.03937
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME324722
161227
C00204
1900
177.04046
cotinine
Cotinine
ME324969
854019
-
2213
177.10224
serotonin
Serotonin
ME325398
5202
C00780
2550
177.10224
4-acetamidobenzoate
4-Acetamidobenzoic acid
ME324797
19266
D03836
1403
178.05096
hippurate
Hippuric acid
ME325128
464
C01586
2106.9
178.05096
alliin
Alliin
ME324873
87310
C08265
1470
178.05324
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME324818
979
C01179
1690
179.03498
picolinoylglycine
Picolinoylglycine
ME325344
11788622
-
1867
179.04621
cysteinylglycine
Cys-Gly
ME324977
439498
C01419
2132
179.0485
paraxanthine
Paraxanthine
ME325325
4687
C13747
2279
179.05745
theophylline
Theophylline
ME325440
2153
C07130
2356.9
179.05745
1-methylurate
1-Methyluric acid
ME324668
69726
C16359
1099
181.03671
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME324743
9378
C03672
1379
181.05063
mannitol/sorbitol
Sorbitol
ME325194
5780
C00794
2320
181.07176
theobromine
Theobromine
ME325439
5429
C07480
1600
181.07201
saccharin
Saccharin
ME325391
5143
D01085
2000
181.99173
pyridoxate
4-Pyridoxic acid
ME325366
6723
C00847
2185
182.04588
methionine sulfone
Methionine sulfone
ME325203
69961
-
1250
182.04816
tyrosine
Tyrosine
ME325460
6057
C00082
2430
182.08117
7-methylurate
7-Methyluric acid
ME324855
69160
C16355
1321
183.05127
acisoga
Acisoga
ME324863
129397
-
2297
183.1139
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME324681
14891
C13910
5085.8
183.13905
choline phosphate
Choline phosphate
ME324956
1014
C00588
700
184.07332
3-phosphoglycerate
3-Phosphoglyceric acid
ME324791
724
C00597
590
187.00022
o-cresol sulfate
o-Cresol sulfate
ME325291
11615528
-
2796
187.00705
p-cresol sulfate
p-Cresol sulfate
ME325313
4615423
-
2890
187.00705
1-hydroxy-2-naphthalenecarboxylate
1-Hydroxy-2-naphthoate
ME324661
6844
C03203
3930
187.04006
N-acetylglutamine
N-Acetylglutamine
ME325236
182230
C02716
2140
187.07243
azelate (C9-DC)
Azelaic acid
ME324910
2266
C08261
2520
187.09758
N2-acetyllysine
N(2)-Acetyllysine
ME325275
92907
C12989
3372.6
187.10881
N6-acetyllysine
N6-Acetyllysine
ME325279
92832
C02727
1059
187.10881
2-hydroxydecanoate
2-Hydroxycapric acid
ME324708
21488
-
4840
187.13396
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME324759
26612
-
4634.7
187.13396
2-aminophenol sulfate
2-Aminophenyl sulfate
ME324702
181670
-
1677
188.0023
3-hydroxy-2-methylpyridine sulfate
-
ME324754
-
-
1849
188.0023
5-hydroxy-2-methylpyridine sulfate
-
ME324832
-
-
2074
188.0023
kynurenate
Kynurenic acid
ME325167
3845
C01717
2224
188.03531
N-acetylglutamate
N-Acetylglutamic acid
ME325235
70914
C00624
3106
188.05644
1-carboxyethylvaline
1-Carboxyethylvaline
ME324660
-
-
2008
188.09283
(N(1) + N(8))-acetylspermidine
Asparagine
ME324647
-
-
3080
188.17574
catechol sulfate
Catechol sulfate
ME324946
3083879
-
1906
188.98631
hydroquinone sulfate
Quinol sulfate
ME325136
161220
C00530
1395
188.98631
leucylglycine
Leu-Gly
ME325176
79070
-
2778
189.12337
homoarginine
Homoarginine
ME325131
9085
C01924
2882
189.13461
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME325277
440120
C03793
2825
189.15976
N-acetylmethionine
N-Acetylmethionine
ME325240
448580
C02712
1787
190.05434
indolepropionate
3-Indolepropionic acid
ME325153
3744
-
3205
190.08626
methyl indole-3-acetate
Indole-3-methyl acetate
ME325206
74706
-
3380
190.08626
homocitrulline
Homocitrulline
ME325132
65072
C02427
1908
190.11862
citrate
Citric acid
ME324964
311
C00158
582
191.01973
quinate
Quinic acid
ME325370
6508
C00296
2432.9
191.05611
gamma-carboxyglutamate
gamma-Carboxy-glutamic acid
ME325053
40772
-
903
192.05027
resveratrol disulfate (1)*
-
ME325374
-
-
2530
192.98886
resveratrol disulfate (2)*
-
ME325375
-
-
2840
192.98886
glucuronate
Glucuronic acid
ME325078
444791
C00191
3233.3
193.03537
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME325205
-
-
1070
193.0718
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME324710
10253
C07588
2184
194.04588
3-hydroxyhippurate
3-Hydroxyhippuric acid
ME324764
450268
-
1687
194.04588
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME324815
151012
-
1475
194.04588
galactonate
Galactonic acid
ME325052
128869
C00880
3085
195.05102
gluconate
Gluconic acid
ME325076
10690
C00257
2922
195.05102
gulonate*
Gulonic acid
ME325118
152304
C00257
2750
195.05102
mannonate*
Mannonic acid
ME325195
3246006
-
2736
195.05102
arabinose
Arabinose
ME324894
66308
C00216
1804.5
195.05103
xylose
Xylose
ME325482
135191
C00181
1727
195.05103
1,3-dimethylurate
1,3-Dimethyluric acid
ME324654
70346
-
1671.4
195.05236
1,7-dimethylurate
1,7-Dimethyluric acid
ME324657
91611
C16356
1578.6
195.05236
3,7-dimethylurate
3,7-Dimethyluric acid
ME324740
83126
C16360
1418
195.05236
caffeine
Caffeine
ME324935
2519
C07481
2106
195.08766
dodecadienoate (12:2)*
Dodecadienoic acid
ME325012
-
-
5146
195.13905
N-acetylhistidine
N-Acetylhistidine
ME325238
75619
C02997
900
196.07276
vanillylmandelate (VMA)
Vanillylmandelic acid
ME325475
1245
C05584
941
197.04555
5-acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME324828
88299
C16366
1710
197.06801
decadienedioic acid (C10:2-DC)**
-
ME324981
-
-
2329.7
197.08185
branched-chain, straight-chain, or cyclopropyl 12:...
-
ME324929
-
-
5261
197.15457
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME324830
5312378
-
5224
197.1547
histidine betaine (hercynine)*
Hercynine
ME325130
3083620
-
2094
198.12371
4-vinylphenol sulfate
4-Hydroxystyrene
ME324824
6426766
C05627
3320
199.00705
laurate (12:0)
Lauric acid
ME325172
3893
C02679
5300
199.17035
cysteine s-sulfate
Cysteine-S-sulfate
ME324975
115015
C05824
2273
199.96928
N-acetyl-2-aminooctanoate*
N-Acetyl-2-aminooctanoic acid
ME325223
95555
-
3943
200.12921
(2,4 or 2,5)-dimethylphenol sulfate
-
ME324646
-
-
3474
201.0227
4-ethylphenylsulfate
4-Ethylphenol
ME324808
20822574
C13637
3580
201.0227
sebacate (C10-DC)
Sebacic acid
ME325395
5192
C08277
1788
201.11323
1-carboxyethylleucine
1-Carboxyethylleucine
ME324658
-
-
2663
202.10848
3-methyl catechol sulfate (1)
-
ME324780
-
-
2790
203.00196
4-methoxyphenol sulfate
4-Methoxyphenol sulfate
ME324819
-
-
2412
203.00196
4-methylcatechol sulfate
-
ME324821
-
-
2665
203.00196
guaiacol sulfate
Guaiacol sulfate
ME325115
22473
-
2344
203.00196
leucylalanine
Leu-Ala
ME325175
259321
-
2801
203.13902
N2-acetyl,N6-methyllysine
N2-Acetyl,N6-methyllysine
ME325274
-
-
2168
203.13902
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME325225
131802901
-
2305
203.13902
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME325002
123831
C03626
2850
203.15026
spermine
Spermine
ME325401
1103
C00750
3350
203.22303
xanthurenate
Xanthurenic acid
ME325480
5699
C02470
1476
204.03023
cinnamoylglycine
Cinnamoylglycine
ME324958
709625
-
3127
204.06661
indolelactate
Indolelactic acid
ME325152
92904
C02043
2286
204.06661
acetylcarnitine (C2)
CAR 2:0
ME324862
1
C02571
2282
204.12304
1,2,3-benzenetriol sulfate (1)
-
ME324651
-
-
1453
204.98123
1,2,3-benzenetriol sulfate (2)
-
ME324652
-
-
1709
204.98123
gamma-glutamylglycine
gamma-Glutamylglycine
ME325062
165527
-
1535
205.0819
tryptophan
Tryptophan
ME325457
6305
C00078
2986
205.09716
2-hydroxyibuprofen
2-Hydroxyibuprofen
ME324711
10443535
-
807
205.12231
ibuprofen
Ibuprofen
ME325145
3672
D00126
4925
205.1234
hydroxy-N6,N6,N6-trimethyllysine*
-
ME325138
-
-
2759
205.15468
N-acetylphenylalanine
N-Acetylphenylalanine
ME325242
74839
C03519
2597
206.08226
1,6-anhydroglucose
Glucosan
ME324656
2724705
-
1175.5
207.05102
ethyl alpha-glucopyranoside
-
ME325029
428040
-
1576
207.08741
lanthionine
Lanthionine
ME325171
98504
-
1730
209.05906
sedoheptulose
Glucoheptulose
ME325396
5459879
-
2255
209.06667
1,3,7-trimethylurate
1,3,7-Trimethyluric acid
ME324653
79437
C16361
1985
209.06801
kynurenine
Kynurenine
ME325168
161166
C00328
2739
209.09207
isocitrate
Isocitric acid
ME325159
1198
C00311
773
210.0608
vanillactate
Vanillactic acid
ME325472
160637
-
1625
211.06119
3-indoxyl sulfate
Indoxyl sulfate
ME324775
10258
-
2222.2
212.0023
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME324851
122198196
-
2498
212.0023
3-methoxytyrosine
3-Methoxytyrosine
ME324779
1670
-
2555
212.09174
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME325222
53859791
-
2100
212.1028
4-allylphenol sulfate
4-Allylphenol sulfate
ME324805
-
-
3805
213.0227
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME324803
4684006
-
2375
215.00196
desmethylnaproxen
O-Desmethylnaproxen
ME324990
13393711
-
3045
215.07136
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME325272
65977
-
1367
215.10373
N-acetyltheanine
-
ME325246
-
-
1496
215.10373
undecanedioate (C11-DC)
Undecanedioic acid
ME325462
15816
-
2440
215.12888
2-hydroxylaurate
2-Hydroxylauric acid
ME324712
97783
-
5211
215.16526
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME324766
94216
-
5175
215.16526
tyramine O-sulfate
Tyramine-O-sulfate
ME325459
153005
-
1565
216.0336
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME325094
123874
C01233
659
216.06315
N-acetylcitrulline
N-Acetylcitrulline
ME325232
656979
C15532
940
216.09898
3-ethylcatechol sulfate (1)
-
ME324751
-
-
3422
217.01761
4-ethylcatechol sulfate
-
ME324807
-
-
3379
217.01761
4-methylguaiacol sulfate
-
ME324822
-
-
2978
217.01761
2-hydroxysebacate
2-Hydroxy-decanedioic acid
ME324719
128458
-
1324
217.10814
3-hydroxysebacate
3-Hydroxysebacic acid
ME324772
3017884
-
1282
217.10814
N-acetylarginine
N-Acetylarginine
ME325228
67427
C02562
2245
217.12952
N2-acetyl,N6,N6-dimethyllysine
N2-Acetyl,N6,N6-dimethyllysine
ME325273
-
-
2172
217.15467
8-methoxykynurenate
-
ME324857
76230
C05830
2863
218.04588
pantothenate
Pantothenic acid
ME325324
6613
C00864
1498.7
218.10339
propionylcarnitine (C3)
CAR 3:0
ME325361
107738
C03017
2590
218.13869
2-methoxyresorcinol sulfate
-
ME324726
-
-
1863
218.99688
3-methoxycatechol sulfate (1)
-
ME324776
-
-
2163
218.99688
3-methoxycatechol sulfate (2)
-
ME324777
-
-
2200
218.99688
N-acetylalliin
N-Acetylalliin
ME325227
-
-
1348
220.06381
glycine conjugate of C10H12O2*
-
ME325099
-
-
4005
220.09791
ritalinic acid
Ritalinic acid
ME325383
86863
-
3207
220.13321
3,5-dichloro-2,6-dihydroxybenzoic acid
3,5-Dichloro-2,6-dihydroxybenzoic acid
ME324739
-
-
693
220.94138
N-acetyltyrosine
N-Acetyltyrosine
ME325249
68310
-
1680
222.07718
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME325233
24139
-
715
222.0972
glycine conjugate of C10H14O2 (1)*
-
ME325100
-
-
4335
222.11356
2-naphthol sulfate
2-Naphthyl sulfate
ME324730
74428
-
3658
223.00705
cystathionine
Cystathionine
ME324973
439258
C02291
2270
223.07471
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME325436
5312409
-
5292
223.17035
succinoyltaurine
-
ME325417
-
-
2572
224.02343
vanillic acid glycine
-
ME325473
3083688
-
1682
224.05644
androstenediol (3beta,17beta) disulfate (1)
4-Androsten-3beta,17beta-diol disulfate
ME324888
87120982
C04295
3740
224.06182
androstenediol (3beta,17beta) disulfate (2)
4-Androsten-3beta,17beta-diol disulfate
ME324889
87120982
C04295
4065
224.0624
chiro-inositol
1D-chiro-Inositol
ME324951
-
C19891
3191.2
225.06159
fructose
Fructose
ME325048
5984
C00095
2065
225.06159
glucose
Glucose
ME325077
5793
C00031
2342
225.06159
mannose
Mannose
ME325196
18950
C00159
2200
225.06159
myo-inositol
Myo-inositol
ME325213
892
C00137
3506.3
225.06159
5-acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME324829
108214
C16365
1424
225.06292
5alpha-androstan-3alpha,17beta-diol disulfate
5alpha-Androstan-3alpha,17beta-diol disulfate
ME324840
-
-
4275
225.06965
5alpha-androstan-3beta,17alpha-diol disulfate
5alpha-Androstan-3beta,17alpha-diol disulfate
ME324843
-
-
4215
225.06965
5alpha-androstan-3beta,17beta-diol disulfate
-
ME324844
242332
C12525
3880
225.06965
myristoleate (14:1n5)
Myristoleic acid
ME325215
5281119
C08322
5346.9
225.186
lithocholate sulfate (1)
Lithocholic acid sulfate
ME325186
-
-
4811
227.12
dodecenedioate (C12:1-DC)*
Traumatic acid
ME325014
-
-
2700
227.12887
myristate (14:0)
Myristic acid
ME325214
11005
C06424
5440
227.20165
4-allylcatechol sulfate
-
ME324804
-
-
3571
229.01761
thymol sulfate
-
ME325444
-
C09908
4410
229.054
naproxen
Naproxen
ME325283
156391
C01517
4155
229.08702
pro-hydroxy-pro
Pro-hydroxyPro
ME325358
11673055
-
2128
229.11829
dodecanedioate (C12-DC)
Dodecanedioic acid
ME325013
12736
C02678
2990
229.14453
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME325219
-
-
2470
229.15467
2-acetamidophenol sulfate
2-Acetamidophenol sulfate
ME324697
181671
-
2251
230.01286
4-acetaminophen sulfate
Paracetamol sulfate
ME324801
83939
C06804
1792
230.01287
ergothioneine
Ergothioneine
ME325024
3032311
C05570
850
230.09578
4-acetylcatechol sulfate (1)
-
ME324802
-
-
1774
230.99688
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME325207
-
-
2873
230.99688
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME325015
122136
C13690
1556.2
232.02845
butyrylcarnitine (C4)
CAR 4:0
ME324931
439829
C02862
2860
232.15434
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME325157
168379
-
2810
232.15434
vanillic alcohol sulfate
-
ME325474
-
-
1808
233.01253
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME325056
-
-
2380
233.1132
carboxyibuprofen
Carboxyibuprofen
ME324940
10444113
-
1920
235.09758
deoxycholic acid (12 or 24)-sulfate*
Deoxycholic acid
ME324987
-
-
4580
235.11746
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME324659
-
-
2844
236.09283
pregnenediol disulfate (C21H34O8S2)*
-
ME325352
-
-
3868
238.07747
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME324846
-
-
3962
239.0853
5alpha-pregnan-diol disulfate
-
ME324849
5127902
-
4310
239.0853
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME324750
123979
-
2800
239.09249
umbelliferone sulfate
Umbelliferone sulfate
ME325461
129659
-
2440
240.98123
cystine
Cystine
ME324979
67678
C00491
2000
241.03113
glutamine conjugate of C6H10O2 (1)*
-
ME325085
-
-
2404
241.11938
glutamine conjugate of C6H10O2 (2)*
-
ME325086
-
-
2526
241.11938
tridecenedioate (C13:1-DC)*
-
ME325454
-
-
3051
241.14453
(12 or 13)-methylmyristate (a15:0 or i15:0)
Isopentadecylic acid
ME324642
151014
-
5499
241.2173
pentadecanoate (15:0)
Pentadecylic acid
ME325328
13849
C16537
5521
241.2173
cytidine
Cytidine
ME324980
6175
C00475
1325
242.07824
eugenol sulfate
Eugenol sulfate
ME325033
180632
-
3782
243.03326
pseudouridine
Pseudouridine
ME325364
15047
C02067
1100
243.06226
uridine
Uridine
ME325467
6029
C00299
1457.6
243.06226
hexanoylglutamine
Hexanoylglutamine
ME325127
-
-
2780
243.13503
2-hydroxymyristate
2-Hydroxymyristic acid
ME324713
1563
C13790
5364
243.19656
3-hydroxymyristate
3-Hydroxytetradecanoic acid
ME324767
16064
-
5335
243.19656
tiglylcarnitine (C5:1-DC)
CAR DC5:1
ME325446
22833596
-
2962
244.15434
4-hydroxychlorothalonil
4-Hydroxychlorothalonil
ME324812
34217
-
4427
244.90817
ethylparaben sulfate
-
ME325031
-
-
3445
245.01253
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME325095
439964
C03274
2430
245.04317
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME324734
134595
-
3935
245.06711
5,6-dihydrouridine
5,6-Dihydrouridine
ME324826
94312
-
1119
245.07791
N-acetyltryptophan
N-Acetyl-tryptophan
ME325248
700653
C03137
2630
245.09316
3-hydroxydodecanedioate*
3-Hydroxy-dodecanedioic acid
ME324761
16663321
-
2252
245.13944
2-hydroxyacetaminophen sulfate*
2-Hydroxyacetaminophen sulfate
ME324705
86290013
-
1674
246.00778
3-methoxytyramine sulfate
3-Methoxytyramine sulfate
ME324778
-
-
1722
246.04416
pregnenetriol disulfate*
-
ME325354
-
-
3504
246.07493
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME324727
6426901
-
3050
246.16999
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME325164
6426851
-
3085
246.16999
gamma-glutamylvaline
gamma-Glutamylvaline
ME325071
7015683
-
2700
247.12885
tryptophan betaine
Lenticin
ME325458
442106
C09213
2673
247.14411
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME324648
53481617
-
2400
248.14925
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME324649
-
-
2340
248.14925
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME325068
76078708
-
1750
249.10812
delta-CEHC
-
ME324984
11536125
-
3422
249.11323
N-desmethyl tramadol
-
ME325253
10354700
-
3360
250.18016
hexadecadienoate (16:2n6)
Hexadecadienoic acid
ME325122
-
-
5398
251.20165
pyrraline
Pyrraline
ME325368
122228
-
2304
253.11938
cimetidine
Cimetidine
ME324957
-
-
2715
253.123
tetradecadienedioate (C14:2-DC)*
-
ME325435
-
-
3148
253.14453
palmitoleate (16:1n7)
Palmitoleic acid
ME325315
445638
C08362
5475
253.2173
hydroxybupropion
Hydroxybupropion
ME325140
446
-
5084
254.09533
triamterene
Triamterene
ME325453
5546
D00386
3164
254.11487
glycocholenate sulfate*
Glycocholenate sulfate
ME325107
-
-
4750
254.62291
ascorbic acid 3-sulfate*
-
ME324906
11425365
-
2025
254.98146
ascorbic acid 2-sulfate
-
ME324905
86484
-
3042
254.98162
hydroxy-CMPF*
-
ME325137
-
-
1516
255.08741
riboflavin (Vitamin B2)
Riboflavin
ME325380
493570
C00255
3160
255.08873
glutamine conjugate of C7H12O2*
-
ME325087
-
-
3053
255.13502
palmitate (16:0)
Palmitic acid
ME325314
985
C00249
5618
255.23295
glycolithocholate sulfate*
Sulfoglycolithocholic acid
ME325112
72222
C11301
5011
255.63073
lamotrigine
Lamotrigine
ME325170
3878
D00354
3379
256.01513
5-methyluridine (ribothymidine)
Ribothymidine
ME324837
445408
-
1778.1
257.07791
branched chain 14:0 dicarboxylic acid**
-
ME324925
-
-
3849
257.17583
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME325437
13185
-
3985
257.17583
2'-O-methylcytidine
2'-O-Methylcytidine
ME324690
150971
-
2411
258.10845
3-methylcytidine
3-Methylcytidine
ME324784
159649
-
2176
258.10845
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME325097
71920
C00670
672
258.1101
caffeic acid sulfate
-
ME324934
-
-
1307
258.99179
propyl 4-hydroxybenzoate sulfate
-
ME325363
-
-
3971
259.02818
1-ribosyl-imidazoleacetate*
Imidazoleacetic acid riboside
ME324672
5117448
C05131
2006
259.09247
2-methoxyacetaminophen sulfate*
2-Methoxyacetaminophen sulfate
ME324725
86290014
-
1949
260.02343
O-sulfo-L-tyrosine
Sulfotyrosine
ME325294
514186
-
990
260.02343
hexanoylcarnitine (C6)
CAR 6:0
ME325126
6426853
-
3358
260.18564
dihydrocaffeate sulfate (2)
Dihydrocaffeic acid 3-sulfate
ME324998
49844181
-
1328
261.00744
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME325064
14253342
-
2940
261.1445
gamma-glutamylleucine
gamma-Glutamylleucine
ME325065
151023
-
2991
261.1445
succinylcarnitine (C4-DC)
CAR DC4:0
ME325418
71464481
-
2291
262.12852
beta-hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME324917
-
-
2584
262.1649
gamma-CEHC
gamma-CEHC
ME325054
133098
-
3843
263.12888
glycochenodeoxycholate 3-sulfate
Glycochenodeoxycholic acid 3-sulfate
ME325103
-
-
4820
263.62819
glycodeoxycholate 3-sulfate
Glycodeoxycholic acid 3-sulfate
ME325109
-
-
4875
263.62819
glycoursodeoxycholic acid sulfate (1)
-
ME325114
-
-
4309
263.62819
phenylacetylglutamate
N-Phenylacetylglutamic acid
ME325333
11579826
-
1570
264.08774
O-desmethylvenlafaxine
Desvenlafaxine
ME325293
125017
D07793
3253
264.19581
tramadol
Tramadol
ME325448
33741
C07153
760
264.19581
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*
3-Bromo-5-chloro-2,6-dihydroxybenzoic acid
ME324748
-
-
4505
264.89087
2,3-diphosphoglycerate
2,3-Diphosphoglyceric acid
ME324695
186004
C01159
555
264.952
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME325334
92258
C04148
2145
265.11829
inosine
Inosine
ME325155
6021
C00294
1602.1
267.07349
N-acetylcarnosine
N-Acetylcarnosine
ME325231
9903482
-
1235
267.10988
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ME324749
194501
-
4000
267.12379
atenolol
Atenolol
ME324909
2249
D00235
2668
267.17032
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME324678
5312435
-
5555
267.23295
metoprolol acid metabolite*
-
ME325211
62936
-
2950
268.15434
metoprolol
Metoprolol
ME325210
4171
D02358
3312
268.19072
allopurinol riboside
Allopurinol riboside
ME324876
-
-
1286
269.08805
retinol (Vitamin A)
Retinol
ME325378
445354
C00473
1636
269.22639
margarate (17:0)
Margaric acid
ME325198
10465
-
5731
269.2486
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME324643
17903417
-
5695
269.24868
16-hydroxypalmitate
Juniperic acid
ME324686
10466
C18218
5236.2
271.22786
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME324716
92836
-
5511.2
271.22786
hexadecasphingosine (d16:1)*
C16 Sphingosine
ME325124
-
-
1289
272.25841
stearidonate (18:4n3)
Stearidonic acid
ME325409
5312508
C16300
5395
275.20165
3-(methylthio)acetaminophen sulfate*
-
ME324744
-
-
2265
276.00059
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME325061
150914
C05283
1430
276.11902
glutarylcarnitine (C5-DC)
CAR DC5:0
ME325089
71464488
-
2393
276.14417
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME325057
65254
-
2784
276.1554
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME325058
7015685
-
2725
276.1554
3-hydroxyhexanoylcarnitine (1)
CAR 6:0;3OH
ME324763
-
-
2918
276.18055
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME325060
92865
C05282
1775
277.10303
leucylphenylalanine/isoleucylphenylalanine
-
ME325177
-
-
4073
277.15576
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME325181
5280934
C06426
5450
277.2173
maprotiline
-
ME325197
4011
C07107
1010
278.19033
venlafaxine
Venlafaxine
ME325476
5656
C07187
848
278.21146
4-hydroxyphenylacetylglutamine
4-Hydroxyphenylacetylglutamine
ME324817
-
-
1650
279.09864
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME325066
7009567
-
2640
279.10092
linoleate (18:2n6)
Linoleic acid
ME325180
5280450
C01595
5535
279.23295
taurocholenate sulfate*
Taurocholenate sulfate
ME325431
-
-
4750
279.61422
oleamide
Oleamide
ME325301
5283387
C19670
6581
280.26458
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME325434
440071
C03642
5027
280.62205
6-bromotryptophan
6-Bromotryptophan
ME324850
-
-
3565
280.99311
oleate/vaccenate (18:1)
Oleic acid
ME325302
-
-
5655
281.2486
N1-methyladenosine
1-Methyladenosine
ME325269
27476
C02494
2120
282.11969
p-cresol glucuronide*
P-Cresol glucuronide
ME325312
154035
-
2420
283.08232
N1-methylinosine
1-Methylinosine
ME325270
65095
-
1430
283.1037
hexadecenedioate (C16:1-DC)*
-
ME325125
-
-
4380
283.19148
stearate (18:0)
Stearic acid
ME325408
5281
C01530
5872
283.26425
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME325063
7017195
-
2740
285.11935
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME325123
10459
C19615
4615
285.20713
retinal
Retinal
ME325377
638015
C00376
1666
285.2213
N4-acetylcytidine
N4-Acetylcytidine
ME325276
107461
-
1580
286.10337
piperine
Piperine
ME325349
638024
C03882
1168
286.14377
orotidine
Orotidine
ME325309
92751
-
2250
287.05209
octanoylcarnitine (C8)
CAR 8:0
ME325300
123701
C02838
950
288.21694
taurochenodeoxycholic acid 3-sulfate
Taurochenodeoxycholic acid 3-sulfate
ME325429
-
-
4809
288.61951
taurodeoxycholic acid 3-sulfate
Taurodeoxycholic acid 3-sulfate
ME325433
-
-
4850
288.61951
3-methylglutarylcarnitine (2)
CAR DC5:0;3Me
ME324787
128145
-
2687
290.15982
adipoylcarnitine (C6-DC)
CAR DC5:0
ME324869
71296139
-
2570
290.15982
EDTA
Edetic acid
ME325017
6049
C00284
643
291.08339
desmethylnaproxen sulfate
-
ME324991
184679
-
2250
295.02818
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME325067
111299
-
2992
295.12885
13-HODE + 9-HODE
HODE
ME324684
43013
-
5275
295.22825
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME324680
5312513
-
5780
295.26425
hydrochlorothiazide
Hydrochlorothiazide
ME325135
3639
C07041
2046
295.95719
norfluoxetine
-
ME325289
4541
-
1008
296.12568
didesmethylcitalopram*
-
ME324992
-
-
876
297.13977
3-hydroxyoleate*
-
ME324769
-
-
5508
297.24351
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME324644
3083779
-
5993
297.2799
nonadecanoate (19:0)
Nonadecylic acid
ME325287
12591
C16535
6068
297.2799
pristanate
Pristanic acid
ME325357
123929
-
5773
297.2799
cysteinylglycine disulfide*
Cysteinylglycine disulfide
ME324978
-
-
2547
298.05259
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME324836
439176
C00170
2752
298.09684
sphingadienine
Sphingadienine
ME325402
6449795
-
1350
298.27406
palmitoyl ethanolamide
Palmitoyl-EA
ME325318
4671
C16512
6300
298.27515
2-hydroxystearate
2-Hydroxystearic acid
ME324720
69417
C03045
5695
299.25917
3-hydroxystearate
3-Hydroxystearic acid
ME324774
5282907
-
5674
299.25917
9-hydroxystearate
9-Hydroxy stearic acid
ME324859
9570127
-
5384
299.25917
GlcNAc sulfate conjugate of C21H34O2 steroid**
-
ME325075
-
-
4336.7
299.63862
sphingosine
Sphingosine
ME325405
5353955
C00319
1393
300.28971
eicosapentaenoate (EPA; 20:5n3)
Eicosapentaenoic acid
ME325019
446284
C06428
5450
301.2173
indoleacetylglutamine
Indoleacetyl glutamine
ME325151
25200879
-
2535
302.11463
nonanoylcarnitine (C9)
CAR 9:0
ME325288
-
-
1003
302.23259
sphinganine
Sphinganine
ME325403
3126
C00836
1413
302.30536
arachidonate (20:4n6)
Arachidonic acid
ME324898
444899
C00219
5535
303.23295
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME325346
-
-
2773
304.17547
gamma-glutamylcitrulline*
-
ME325059
-
-
1644
305.14556
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME324994
5280581
C03242
5596
305.2486
resveratrol sulfate (1)*
-
ME325376
-
-
3250
307.02818
warfarin
Warfarin
ME325478
-
C01541
3790
307.09758
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME324993
6439848
C16525
5730
307.26425
zolpidem
Zolpidem
ME325483
-
-
3346
308.17574
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME325070
94340
-
1240
309.10921
fructosyllysine
Fructosyllysine
ME325049
123708
-
2784
309.16563
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME325295
-
-
4676
309.20714
eicosenoate (20:1)
cis-Gondoic acid
ME325021
5282768
C16526
5950
309.2799
citalopram propionate*
-
ME324962
10403174
C16610
4400
310.08849
N-acetylneuraminate
N-Acetylneuraminic acid
ME325241
439197
C00270
660
310.11326
fluoxetine
Fluoxetine
ME325046
3386
D00326
1025
310.14133
3-(N-acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME324745
83967
-
2094
311.07072
phenylalanylphenylalanine
Phe-Phe
ME325336
6993090
-
4292
311.14011
desmethylcitalopram*
N-Desmethylcitalopram
ME324989
162180
C16608
880
311.15542
octadecenedioate (C18:1-DC)*
-
ME325298
-
-
4875
311.22279
arachidate (20:0)
Arachidic acid
ME324897
10467
C06425
6240
311.29555
phytanate
Phytanic acid
ME325342
26840
C01607
5908
311.29555
glycochenodeoxycholate glucuronide (1)
Glycochenodeoxycholic acid 3-glucuronide
ME325104
-
-
4806
311.66583
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME325271
92919
-
2210
312.13025
N-palmitoylglycine
N-Palmitoyl glycine
ME325263
151008
-
5580
312.25441
12,13-DiHOME
12,13-DiHOME
ME324683
10236635
C14829
5137
313.23843
9,10-DiHOME
9,10-DiHOME
ME324858
9966640
C14828
5180
313.23843
octadecanedioate (C18-DC)
Octadecanedioic acid
ME325296
70095
-
5043
313.23843
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME324960
-
-
1057
314.23259
febuxostat
-
ME325034
134018
D01206
4748
315.08088
ranitidine
Ranitidine
ME325373
3001055
D00422
2910
315.14854
4-methylnonanoylcarnitine
-
ME324823
-
-
1055
316.24824
decanoylcarnitine (C10)
CAR 10:0
ME324982
10245190
-
1130
316.24824
suberoylcarnitine (C8-DC)
CAR DC8:0
ME325414
-
-
2964
318.19112
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME324914
72715786
C20775
530
320.06232
linoleoyl ethanolamide
Linoleoyl-EA
ME325183
5283446
-
6150
322.27515
10-hydroxywarfarin
-
ME324679
-
-
3910
323.09249
oleoyl ethanolamide
Oleoyl-EA
ME325303
5283454
-
6450
324.2908
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME324827
123986
-
2755
325.16055
escitalopram
Escitalopram
ME325028
146570
D07913
908
325.17107
quinine
Quinine
ME325371
2728270
-
3378
325.19106
4-acetamidophenylglucuronide
p-Acetamidophenylglucuronide
ME324800
83944
-
1400
326.08814
docosahexaenoate (DHA; 22:6n3)
LPC 22:6
ME325006
445580
C06429
5525
327.23295
2-hydroxyarachidate*
2-Hydroxyeicosanoic acid
ME324706
5225199
-
5990
327.29047
2-hydroxyphytanate*
2-Hydroxyphytanic acid
ME324718
189026
-
5751
327.29047
undecenoylcarnitine (C11:1)
CAR 11:1
ME325463
-
-
1069
328.24824
stearoyl ethanolamide
Stearoyl-EA
ME325410
27902
-
1787
328.32101
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME325009
6441454
C16513
5571
329.2486
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME325010
6441454
C16513
5624.5
329.2486
paroxetine
Paroxetine
ME325326
43815
D02362,C07415
963
330.15
adrenate (22:4n6)
Adrenic acid
ME324870
5497181
C16527
5678
331.26425
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME325069
3989307
-
1960
332.12519
3-hydroxydecanoylcarnitine
CAR 10:0;3OH
ME324760
-
-
961
332.24315
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME325096
167572
-
3850
333.05922
docosatrienoate (22:3n3)
13,16,19-Docosatrienoic acid
ME325011
5312556
C16534
5823
333.2799
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME325004
5282807
C16533
6034
335.29555
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME325234
123826
C04540
1212
336.14015
chlorthalidone
Chlorthalidone
ME324952
2732
D00272
3600
337.00553
erucate (22:1n9)
cis-Erucic acid
ME325025
5281116
C08316
6355.6
337.3112
topiramate
Topiramate
ME325447
5284627
C07502
4021
338.09151
2,2'-Methylenebis(6-tert-butyl-p-cresol)
-
ME324691
8398
-
703
339.23295
eicosenedioate (C20:1-DC)*
-
ME325020
-
-
5095
339.25407
palmitoloelycholine
-
ME325317
-
-
1385
340.32101
citalopram N-oxide*
-
ME324961
10068142
C16607
905
341.16599
eicosanedioate (C20-DC)
Eicosanedioic acid
ME325018
75502
-
5200.9
341.26973
5-dodecenoylcarnitine (C12:1)
CAR 12:1(5)
ME324831
-
-
1135
342.26389
N-palmitoylserine
N-Palmitoyl serine
ME325264
6453686
-
5557
342.26498
palmitoylcholine
Palmitoylcholine
ME325321
151731
-
1482
342.33666
14-HDoHE/17-HDoHE
-
ME324685
-
-
5296
343.22786
omeprazole
Omeprazole
ME325306
4594
C07324
4673
344.10743
3-(3-amino-3-carboxypropyl)uridine*
3-(3-amino-3-carboxypropyl)uridine
ME324741
171198
-
1369
344.10993
laurylcarnitine (C12)
CAR 12:0
ME325173
10427569
-
1235
344.27954
glucuronide of C10H18O2 (7)*
-
ME325079
-
-
3790
345.1555
glucuronide of C10H18O2 (8)*
-
ME325080
-
-
3865
345.1555
adenosine 5'-monophosphate (AMP)
AMP
ME324868
6083
C00020
1013
348.07037
genistein sulfate*
-
ME325073
-
-
3616
349.00236
inosine 5'-monophosphate (IMP)
IMP
ME325156
8582
C00130
650
349.05438
phenylalanyltryptophan
Phe-Trp
ME325337
134906
-
4165
350.15101
sulfate of piperine metabolite C16H19NO3 (2)*
-
ME325420
-
-
4112
352.08601
sulfate of piperine metabolite C16H19NO3 (3)*
-
ME325421
-
-
4200
352.08601
cys-gly, oxidized
CYS-GLY, oxidized
ME324972
333293
-
2947
355.07406
nisinate (24:6n3)
THA
ME325286
11792612
-
5657
355.26425
2-methoxyacetaminophen glucuronide*
2-Methoxyacetaminophen glucuronide
ME324724
14367271
-
1633
356.0987
alpha-CEHC sulfate
alpha-CEHC sulfate
ME324877
-
-
3090
357.10134
pioglitazone
Pioglitazone
ME325347
4829
C07675
3240
357.12674
cortisone
Cortisone
ME324967
222786
C00762
4575
359.18639
cortisol
Cortisol
ME324966
5754
C00735
4710
361.20204
N-palmitoyltaurine
N-Palmitoyl taurine
ME325265
-
-
5560
362.23705
C-glycosyltryptophan
C-Glycosyltryptophan
ME324933
10981970
-
1777
365.13542
linoleoylcholine*
alpha-Linoleoylcholine
ME325185
-
-
1388
366.33666
dehydroepiandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME324983
12594
C04555
4745
367.15846
N-oleoylserine
NASer 18:1(9Z)
ME325260
-
-
5600
368.28063
oleoylcholine
Oleoylcholine
ME325305
-
-
1449
368.35231
ketopioglitazone
-
ME325166
-
-
4165
369.09145
androstenediol (3alpha, 17alpha) monosulfate (2)
-
ME324886
-
-
4712
369.17411
androstenediol (3alpha, 17alpha) monosulfate (3)
-
ME324887
-
-
5180
369.17411
androstenediol (3beta,17beta) monosulfate (1)
-
ME324890
13847309
-
4535
369.17411
androstenediol (3beta,17beta) monosulfate (2)
-
ME324891
-
-
4500
369.17411
androsterone sulfate
5alpha-Androstane-3alpha-ol-17-one sulfate
ME324893
159663
-
5022
369.17411
epiandrosterone sulfate
Epiandrosterone
ME325023
9929317
-
4855
369.17411
docosadioate (C22-DC)
Docosanedioic acid
ME325005
244872
C19625
5291.8
369.30103
cholesterol
Cholesterol
ME324954
11025495
C00187
2707
369.35159
salicyluric glucuronide*
Salicyluric glucuronide
ME325393
-
-
1463
370.07797
carnitine of C10H14O2 (5)*
-
ME324942
-
-
4521
370.18711
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME325216
90659872
-
1316
370.29471
stearoylcholine*
Stearoylcholine
ME325412
-
-
1520
370.36797
5alpha-androstan-3alpha,17alpha-diol monosulfate
-
ME324839
-
-
5208
371.18976
5alpha-androstan-3alpha,17beta-diol monosulfate (1...
-
ME324841
-
-
4925
371.18976
5alpha-androstan-3alpha,17beta-diol monosulfate (2...
-
ME324842
-
-
5080
371.18976
5alpha-androstan-3beta,17beta-diol monosulfate (2)
-
ME324845
-
-
4685
371.18976
trazadone
Trazodone
ME325452
5533
C07156,D08626
3498
372.15857
myristoylcarnitine (C14)
CAR 14:0
ME325217
6426854
-
1350
372.31084
hydroxypioglitazone (M-IV)
-
ME325141
-
-
665
373.12166
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME324794
92997
-
5205
373.27482
sulfate of piperine metabolite C18H21NO3 (1)*
-
ME325422
-
-
4481
378.10167
sulfate of piperine metabolite C18H21NO3 (3)*
-
ME325423
-
-
4630
378.10167
celecoxib
Celecoxib
ME324947
2662
C07589
5283
380.0686
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME325406
5283560
C06124
1375
380.25604
ibuprofen acyl glucuronide
-
ME325146
163959
-
4976
381.15549
2-hydroxynervonate*
Hydroxynervonic acid
ME324714
5312783
-
6345
381.33742
pantoprazole
Pantoprazole
ME325323
4679
C11806
4398
382.06785
N6-succinyladenosine
Succinyladenosine
ME325282
165243
-
940
382.10043
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME325404
520
-
1431
382.27169
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME325387
439155
C00021
1832.4
383.11431
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME324687
-
-
4240
383.15338
andro steroid monosulfate C19H28O6S (1)*
Dehydroepiandrosterone sulfate
ME324885
-
C04555
3871
383.1534
4-cholesten-3-one
Cholestenone
ME324806
91477
C00599
2520
385.3465
maltose
Maltose
ME325191
10991489
C00208
3329.4
387.11442
sucrose
Sucrose
ME325419
5988
C00089
3092
387.11442
tadalafil
Tadalafil
ME325425
4687521
-
4898
388.13028
N-oleoyltaurine
N-Oleoyl taurine
ME325261
6437033
-
5610
388.2527
cetirizine
Cetirizine
ME324949
2678
C07778
1052
389.16265
N-stearoyltaurine
N-Stearoyl taurine
ME325266
168274
-
5782
390.26835
arachidonoylcholine
Arachidonoylcholine
ME324900
-
-
1390
390.33666
chenodeoxycholate
Chenodeoxycholic acid
ME324950
10133
C02528
5264
391.28538
deoxycholate
Deoxycholic acid
ME324986
222528
C04483
5294
391.28538
isoursodeoxycholate
Isoursodeoxycholic acid
ME325162
127601
C17662
4809
391.28538
ursodeoxycholate
Ursodeoxycholic acid
ME325468
31401
C07880
5055
391.28538
dihomo-linolenoyl-choline
-
ME324995
-
-
1424
392.35231
pregnenolone sulfate
Pregnenolone sulfate
ME325356
105074
-
5100
395.18976
pregnanolone/allopregnanolone sulfate
3alpha-Hydroxy-5beta-pregnane-20-one
ME325351
-
-
5160
397.20541
pregnenediol sulfate (C21H34O5S)*
Pregnenolone sulfate
ME325353
-
-
5000
397.20541
beta-sitosterol
Sitosterol
ME324918
222284
C01753
3054
397.38289
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME325316
71464547
-
1357
398.32649
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
-
ME324847
-
-
5060
399.22106
5alpha-pregnan-3beta,20beta-diol monosulfate (1)
-
ME324848
-
-
5180
399.22106
palmitoylcarnitine (C16)
CAR 16:0
ME325320
461
C02990
1425
400.34214
cholate
Cholic acid
ME324953
221493
C00695
5165
407.28029
hyocholate
Hyocholic acid
ME325142
92805
C17649
5046
407.28029
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME325280
161466
-
2164
411.12698
17alpha-hydroxypregnenolone 3-sulfate
-
ME324688
152971
-
4800
411.18468
Fibrinopeptide B (1-11)**
-
ME325042
-
-
2389
411.48897
perfluorooctanoate (PFOA)
Perfluorooctanoic acid
ME325331
9554
-
685
412.96642
pregnenetriol sulfate*
-
ME325355
-
-
4749
413.20033
docosahexaenoylcholine
-
ME325008
-
-
1378
414.33666
margaroylcarnitine (C17)*
CAR 17:0
ME325199
-
-
1424
414.35779
diltiazem
Diltiazem
ME325000
39186
C06958
888
415.16861
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME324796
165511
C17333
5398
415.32177
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME325072
-
-
2384
416.36427
5-hydroxy-6-methoxy duloxetine sulfate*
-
ME324833
-
-
3807
422.07375
linolenoylcarnitine (C18:3)*
CAR 18:3
ME325182
-
-
1310
422.32649
linoleoylcarnitine (C18:2)*
CAR 18:2
ME325184
6450015
-
1430
424.34214
O-desmethyltramadol glucuronide
-
ME325292
-
-
2741
426.21225
oleoylcarnitine (C18:1)
CAR 18:1
ME325304
6441392
-
1423
426.35779
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME324976
4247235
-
2465
427.09519
metabolonic lactone sulfate
-
ME325200
-
-
4802
427.21598
adenosine 5'-diphosphate (ADP)
ADP
ME324866
6022
C00008
607
428.0367
stearoylcarnitine (C18)
CAR 18:0
ME325411
6426855
-
1485
428.37344
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME324853
3081085
C17337
5288.1
429.30103
alpha-tocopherol
alpha-Tocopherol
ME324884
14985
C02477
2522
430.37818
3beta,7alpha-dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoic acid
ME324795
3081084
C17335
5275
431.31668
glycolithocholate
Glycolithocholic acid
ME325111
115245
C15557
5357.1
432.31193
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME324662
-
-
5483
433.23606
valsartan
Valsartan
ME325470
5650
-
4228
434.21976
gamma-CEHC glucuronide*
-
ME325055
-
-
2500
439.16097
3-hydroxyoleoylcarnitine
CAR 18:1(9Z);3OH
ME324770
-
-
1406
442.3527
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME325102
12544
C05466
5236.1
448.30684
glycodeoxycholate
Glycodeoxycholic acid
ME325108
3035026
C05464
5281
448.30684
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME325113
12310288
-
5033
448.30684
arachidonoylcarnitine (C20:4)
CAR 20:4
ME324899
-
-
1353
448.34215
dihomo-linolenoylcarnitine (C20:3n3 or 6)*
CAR 20:3
ME324996
-
-
1392
450.35777
dihomo-linoleoylcarnitine (C20:2)*
CAR 20:2
ME324997
-
-
1436
452.37343
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME325022
-
-
1484
454.38909
verapamil
Verapamil
ME325477
2520
D02356
945
455.29044
octadecenedioylcarnitine (C18:1-DC)*
CAR DC18:1
ME325299
-
-
1180
456.33197
arachidoylcarnitine (C20)*
CAR 20:0
ME324901
-
-
1512
456.40474
octadecanedioylcarnitine (C18-DC)*
CAR DC18:0
ME325297
-
-
1227
458.34762
glucuronide of piperine metabolite C17H21NO3 (4)*
-
ME325081
-
-
3992
462.17696
glucuronide of piperine metabolite C17H21NO3 (5)*
-
ME325082
-
-
4039
462.17696
rosuvastatin lactone
-
ME325385
-
-
1044
464.165
glyco-beta-muricholate**
Glyco-beta-muricholic acid
ME325101
-
-
4762
464.30176
glycocholate
Glycocholic acid
ME325105
10140
C01921
5163
464.30176
glycohyocholate
Glycohyocholic acid
ME325110
-
-
5020
464.30176
androsterone glucuronide
Androsterone 3-glucuronide
ME324892
114833
C11135
4953
465.24939
etiocholanolone glucuronide
Androsterone 3-glucuronide
ME325032
270605
-
4915
465.24939
sitagliptin
Sitagliptin
ME325399
11306691
-
4485
468.11119
docosahexaenoylcarnitine (C22:6)*
CAR 22:6
ME325007
-
-
1349
472.34215
rosuvastatin
-
ME325384
446157
D01915
4500
480.161
11beta-hydroxyandrosterone glucuronide
-
ME324682
-
-
4209
481.2443
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME324671
3300276
-
5570
483.27284
behenoylcarnitine (C22)*
CAR 22:0
ME324911
-
-
1561
484.43604
4-hydroxy duloxetine glucuronide*
-
ME324810
-
-
3705
488.13846
glyburide
Glyburide
ME325090
3488
D00336,C07022
1180
494.1511
mycophenolic acid glucuronide
-
ME325212
6442661
-
2627
495.1508
pregnanediol-3-glucuronide
Pregnanediol-3-glucuronide
ME325350
123796
-
5145
495.29634
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME325428
387316
C05465
5250
498.28948
taurodeoxycholate
Taurodeoxycholic acid
ME325432
2733768
C05463
5257.4
498.28948
perfluorooctanesulfonate (PFOS)
Perfluorooctanesulfonic acid
ME325330
74483
C18142
662
498.93021
fexofenadine
Fexofenadine
ME325035
3348
C06999
944
502.29519
maltotriose
Maltotriose
ME325193
439586
C01835
812
503.16175
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME324663
-
-
5516
507.27284
nervonoylcarnitine (C24:1)*
CAR 24:1
ME325284
-
-
1602
510.45168
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME324676
-
-
5816
511.30414
lignoceroylcarnitine (C24)*
CAR 24:0
ME325179
-
-
1603
512.46733
taurocholate
Taurocholic acid
ME325430
6675
C05122
5150
514.28439
1-oleoyl-GPS (18:1)
LPS 18:1/0:0
ME324670
9547099
-
5607
522.28374
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME324677
9547101
-
5800
524.29939
ximenoylcarnitine (C26:1)*
CAR 26:1
ME325481
-
-
1607
538.48299
cerotoylcarnitine (C26)*
CAR 26:0
ME324948
-
-
1649
540.49864
cortolone glucuronide (1)
-
ME324968
-
-
4600
541.26543
beta-cryptoxanthin
Cryptoxanthin
ME324915
6384256
-
2560
552.43257
adenosine 5'-diphosphoribose (ADP-ribose)
ADP-ribose
ME324867
192
C00301
920
558.06439
deoxycholic acid glucuronide
-
ME324988
-
-
4800
567.31747
carotene diol (1)
Carotene diol
ME324943
-
-
1720
568.42759
carotene diol (3)
Carotene diol
ME324945
-
-
1948
568.42786
carotene diol (2)
Carotene diol
ME324944
-
-
1904
568.42793
biliverdin
Biliverdin
ME324924
5353439
C00500
1016
583.25512
bilirubin (E,E)*
Bilirubin
ME324921
5315454
-
1045
585.27076
bilirubin (E,Z or Z,E)*
Bilirubin
ME324922
5799469
-
1265
585.27076
bilirubin (Z,Z)
Bilirubin
ME324923
5280352
C00486
1840
585.27076
Fibrinopeptide A (5-16)*
-
ME325038
-
-
2850
601.77795
heme
Heme
ME325119
26945
C00032
1124
616.1762
glycocholate glucuronide (1)
-
ME325106
-
-
4533
640.33385
Fibrinopeptide A (2-15)**
-
ME325036
-
-
2120
653.26621
Fibrinopeptide B (1-12)**
-
ME325043
-
-
2366
661.25311
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...
EPC 18:1;O2/16:0
ME325319
-
-
2207
661.5279
maltotetraose
Maltotetraose
ME325192
446495
C02052
910
665.21458
Fibrinopeptide A (3-16)**
-
ME325037
-
-
2786
673.8033
Fibrinopeptide B (1-13)**
-
ME325044
-
-
2482
696.77166
Fibrinopeptide A, des-ala(1)*
-
ME325040
-
-
2535
731.31677
glycine
Glycine
ME325098
750
C00037
1375
76.03931
trimethylamine N-oxide
Trimethylamine N-oxide
ME325456
1145
C01104
2100
76.07569
Fibrinopeptide A*
-
ME325039
16133137
-
2474
766.83533
1-stearoyl-2-oleoyl-GPG (18:0/18:1)
PG 18:0/18:1
ME324674
-
-
717
775.54946
thyroxine
Thyroxine
ME325445
5819
C01829
4808
775.67944
flavin adenine dinucleotide (FAD)
FAD
ME325045
643975
C00016
2425
784.14985
1-stearoyl-2-oleoyl-GPS (18:0/18:1)
PS 18:0/18:1
ME324675
9547087
-
3000
790.55926
Fibrinopeptide A, phosphono-ser(3)*
-
ME325041
-
-
2016
806.81849
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)
PS 18:0/20:4
ME324673
-
-
2565
812.54361
2-pyrrolidinone
2-Pyrrolidinone
ME324733
12025
-
1262
86.06004
pyruvate
Pyruvic acid
ME325369
1060
C00022
1083
87.00877
butyrate (4:0)
Butyric acid
ME324930
264
C00246
1062
87.04515
oxalate (ethanedioate)
Oxalic acid
ME325310
971
C00209
603
88.98803
lactate
Lactic acid
ME325169
612
C00186
681.6
89.02442
alanine
Alanine
ME324871
5950
C00041
1700
90.05496
beta-alanine
beta-Alanine
ME324913
239
C00099
1905
90.05496
sarcosine
Sarcosine
ME325394
1088
C00213
1280
90.05496
glycerol
Glycerol
ME325092
753
C00116
758
91.04007
dimethyl sulfone
Dimethyl sulfone
ME325001
6213
C11142
832
95.01613
sulfate*
Sulfate
ME325424
1118
C00059
616
96.9601
phosphate
Phosphoric acid
ME325340
1061
C00009
576
98.98418
3-methylglutaconate
3E-Methylglutaconic acid
ME324785
1551553
-
2700
99.04518
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