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Analysis: HILIC 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
ME323815
12665
-
1675
100.07569
alpha-ketobutyrate
3-Methyl pyruvic acid
ME323967
58
C00109
940
101.02442
isovalerate (i5:0)
Isovaleric acid
ME324275
10430
C08262
1564
101.0608
malonate
Malonic acid
ME324310
867
C00383
3447
103.00368
acetoacetate
Acetoacetic acid
ME323950
96
C00164
1062
103.03898
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME323792
-
-
1258
103.04006
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME323844
441
C01089
1480
103.04007
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME323855
87
C06001
1619
103.04007
2-aminobutyrate
2-Aminobutyric acid
ME323782
439691
C02261
2059
104.07061
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME323833
64956
C05145
2190
104.07061
dimethylglycine
Dimethylglycine
ME324101
673
C01026
1104
104.07061
choline
Choline
ME324046
305
C00114
1961
104.10699
glycerate
Glyceric acid
ME324186
752
C00258
2070.4
105.01933
serine
Serine
ME324535
5951
C00065
1239
106.04987
hypotaurine
Hypotaurine
ME324250
107812
C00519
2763.4
108.01247
uracil
Uracil
ME324624
1174
C00106
1089.7
111.02
cytosine
Cytosine
ME324075
597
C00380
2060
112.05054
5,6-dihydrouracil
Dihydrouracil
ME323916
649
C00429
1120
113.03565
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME324525
1196
C04322
1528
114.05496
creatinine
Creatinine
ME324064
588
C00791
2055
114.06619
fumarate
Fumaric acid
ME324147
444972
C00122
3084
115.00368
maleate
Maleic acid
ME324309
444266
C01384
2640
115.00368
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME323873
49
C00141
1465
115.04006
caproate (6:0)
Caproic acid
ME324025
8892
C01585
2713.7
115.07645
3-amino-2-piperidone
3-Amino-2-piperidone
ME323832
5200225
-
2065
115.08659
succinimide
Succinimide
ME324579
11439
C07273
2155
116.03532
guanidinoacetate
Guanidoacetic acid
ME324219
763
C00581
2884
116.04655
proline
Proline
ME324507
145742
C00148
1603
116.07061
methylmalonate (MMA)
Methylmalonic acid
ME324327
487
C02170
3078.4
117.01933
succinate
Succinic acid
ME324578
1110
C00042
3149
117.01933
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME323840
188979
-
975
117.05571
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME323966
99823
-
1052
117.05571
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME324005
69362
-
1027
117.05572
N-acetylglycine
N-Acetylglycine
ME324362
10972
-
826
118.04987
betaine
Betaine
ME324007
247
C00719
1064
118.08626
N,N-dimethylalanine
N,N-Dimethylalanine
ME324342
5488191
-
1370
118.08626
valine
Valine
ME324629
6287
C00183
2479
118.08626
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME324589
45
C02287
3700
118.99859
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME323818
-
-
1543
119.03498
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME323819
10964471
-
1660
119.03498
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME323820
-
-
2204
119.03498
anthranilate
2-Aminobenzoic acid
ME323980
227
C00108
2606
120.0444
threonine
Threonine
ME324606
6288
C00188
1514
120.06552
benzoate
Benzoic acid
ME324000
243
C00180
1750
121.0295
urea
Urea
ME324626
1176
C00086
700
121.07201
cysteine
Cysteine
ME324067
5862
C00097
1475
122.02703
nicotinamide
Niacinamide
ME324420
936
C00153
1942
123.05529
picolinate
Picolinic acid
ME324494
1018
C10164
910
124.03931
taurine
Taurine
ME324590
1123
C00245
660
126.02195
4-imidazoleacetate
Imidazoleacetic acid
ME323906
96215
C02835
2055
127.05021
5,6-dihydrothymine
Dihydrothymine
ME323915
93556
C00906
1637.8
127.0513
5-oxoproline
Pyroglutamic acid
ME323930
7405
C01879
738.5
128.03531
citraconate/glutaconate
Citraconic acid/Glutaconic acid
ME324054
-
-
2600
129.0194
4-methyl-2-oxopentanoate
Ketoleucine
ME323908
70
C00233
2170
129.05571
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME323874
47
C00671
2064.2
129.05572
pyroglutamine*
Pyroglutamine
ME324514
134508
-
1900
129.06586
heptanoate (7:0)
Heptylic acid
ME324225
8094
C17714
3670
129.0921
N-acetylalanine
N-Acetylalanine
ME324352
88064
C02847
1564.8
130.05096
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME324350
76406
C01073
773
130.05096
propionylglycine
Propionylglycine
ME324510
98681
-
960
130.05096
N-methylproline
N-Methyl-proline
ME324387
557
-
1335
130.08626
pipecolate
Pipecolic acid
ME324497
849
C00408
2200
130.08626
metformin
Metformin
ME324320
4091
C07151
2817
130.10873
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME323794
43
C02630
958
131.03389
ethylmalonate
Ethylmalonic acid
ME324135
11756
-
2785
131.03498
glutarate (C5-DC)
Glutaric acid
ME324184
743
C00489
2900
131.03498
methylsuccinate
Methylsuccinic acid
ME324328
10349
-
2800
131.03498
3-ureidopropionate
Ureidopropionic acid
ME323883
111
C02642
2230
131.04621
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME323788
164623
-
1800
131.07136
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME323850
151492
-
1725
131.07136
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME323924
170748
-
1267
131.07136
alpha-hydroxycaproate
2-Hydroxyhexanoic acid
ME323964
99824
-
1920
131.07136
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME323965
83697
C03264
1840
131.07136
N-acetylputrescine
N-Acetylputrescine
ME324369
122356
C02714
2230
131.11789
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME324611
5810
C01157
1064
132.06552
creatine
Creatine
ME324063
586
C00300
1947
132.07676
isoleucine
Isoleucine
ME324271
6306
C00407
2800
132.10191
leucine
Leucine
ME324287
6106
C00123
2864
132.10191
malate
Malic acid
ME324308
525
C00149
615.6
133.01425
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME323776
301941
-
787
133.05063
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME323778
677
C04039
1050
133.05063
asparagine
Asparagine
ME323993
6267
C00152
1225
133.06077
N-carbamoylalanine
N-Carbamoylalanine
ME324377
426409
-
950
133.06077
ornithine
Ornithine
ME324449
6262
C00077
2800
133.09716
thioproline
Thioproline
ME324604
93176
-
1250
134.02703
S-methylcysteine
Methylcysteine
ME324527
24417
-
880
134.02812
aspartate
Aspartic acid
ME323994
5960
C00049
1165
134.04479
iminodiacetate (IDA)
Iminodiacetate
ME324256
8897
C19911
830
134.04479
adenosine
Adenosine
ME323955
60961
C00212
2075.4
134.0472
indolin-2-one
Indolin-2-one
ME324264
321710
C12312
2575
134.06004
erythronate*
Erythronic acid
ME324131
2781043
-
2186
135.02989
threonate
Threonic acid
ME324605
151152
C01620
2384
135.02989
allopurinol
Allopurinol
ME323962
2094
-
1530
135.03123
hypoxanthine
Hypoxanthine
ME324251
790
C00262
1291.2
135.03123
adenine
Adenine
ME323954
190
C00147
2221
136.06178
salicylate
Salicylic acid
ME324530
338
C00805
802
137.02422
trans-urocanate
Urocanic acid
ME324612
736715
C00785
1882.5
137.03565
1-methylnicotinamide
1-Methyl nicotinamide
ME323706
10129985
C02918
1940
137.07094
N-methyltaurine
N-Methyltaurine
ME324388
7882
-
1650
138.02303
trigonelline (N'-methylnicotinate)
Trigonelline
ME324615
5570
C01004
1388
138.05496
cis-urocanate
Urocanic acid
ME324051
1549103
-
2406
139.05021
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME323703
75810
C05828
2064
141.06586
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME323704
6451814
-
1989
141.06586
imidazole propionate
Imidazole propanoate
ME324255
70630
-
2263
141.06586
3,4-methyleneheptanoate
-
ME323821
-
-
3807
141.0921
phosphoethanolamine
Phosphoethanolamine
ME324493
1015
C00346
700
142.02638
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME323942
3014237
-
1692
142.05096
ectoine
Ectoine
ME324117
126041
C06231
1980
143.08151
caprylate (8:0)
Caprylic acid
ME324026
379
C06423
4362
143.10775
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME323968
-
-
1916
144.03023
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME323886
18189
C02946
894
144.06661
butyrylglycine
N-Butyrylglycine
ME324019
88412
-
1470
144.06661
isobutyrylglycine
Isobutyrylglycine
ME324268
10855600
-
1420
144.06661
N-methylpipecolate
N-methyl pipecolic acid
ME324386
11286529
-
1932
144.10191
stachydrine
Stachydrine
ME324569
115244
C10172
1440
144.10191
alpha-ketoglutarate
2-Oxoglutaric acid
ME323969
51
C00026
2700
145.01425
N-oxalyl glycine (NOG)
-
ME324391
3080614
-
3292
146.00949
N-acetylserine
N-Acetylserine
ME324370
65249
-
2000
146.04588
3-formylindole
1H-Indole-3-carboxaldehyde
ME323839
10256
C08493
2736
146.06004
N-methylhydroxyproline**
N-Methyl-4-hydroxyproline
ME324385
-
-
1145
146.08118
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME323897
500
C01035
2320
146.09241
2-aminoheptanoate
2-Aminoheptanoic acid
ME323783
227939
-
3160
146.11756
deoxycarnitine
3-Dehydroxycarnitine
ME324079
134
C01181
2052
146.11756
N,N-dimethyl-5-aminovalerate
N,N-Dimethyl-5-aminovaleric acid
ME324341
-
-
2290
146.11756
spermidine
Spermidine
ME324538
1102
C00315
3355
146.16518
pantoate
(R)-Pantoic acid
ME324475
439251
C00522
1143
147.06628
glutamine
Glutamine
ME324180
5961
C00064
1291
147.07642
lysine
Lysine
ME324307
5962
C00047
2850
147.11281
glutamate
Glutamic acid
ME324179
611
C00025
1500
148.06044
tartarate
Tartaric acid
ME324588
444305
C00898
615.3
149.00916
2-hydroxy-4-(methylthio)butanoic acid
2-Hydroxy-4-(methylthio)butanoic acid
ME323789
-
-
1065
149.02778
hydroxyasparagine**
Hydroxyasparagine
ME324246
97663
C03124
1149
149.05568
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME323881
107
C05629
2860
149.0608
methionine
Methionine
ME324321
6137
C00073
2526
150.05833
oxypurinol
Oxypurinol
ME324453
4644
D02365
1656
151.02615
xanthine
Xanthine
ME324637
1188
C00385
2023
151.02615
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME323801
11970
C05852
858.6
151.04006
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME323903
127
C00642
1361
151.04007
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME324401
69698
C05842
1668
151.0513
ribitol
Ribitol
ME324522
6912
C00474
1789.6
151.06119
arabitol/xylitol
Arabitol
ME323982
6912
C01904
1932.4
151.0612
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME324528
82142
-
900
152.03759
guanine
Guanine
ME324221
764
C00242
2032
152.05669
4-acetamidophenol
Acetaminophen
ME323887
1983
C06804
1670
152.07061
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME323779
9338
-
2575
153.01933
gentisate
Gentisic acid
ME324170
3469
C00628
905
153.01933
cysteine sulfinic acid
3-Sulfino-alanine
ME324069
109
C00606
597
154.01686
histidine
Histidine
ME324235
6274
C00135
755.9
154.0622
orotate
Orotic acid
ME324450
967
C00295
1638.1
155.00983
dihydroorotate
4,5-Dihydroorotic acid
ME324098
648
C00337
1910
157.02548
allantoin
Allantoin
ME323961
204
C02350
1672
157.03671
heptenedioate (C7:1-DC)*
-
ME324226
-
-
2816
157.05063
imidazole lactate
Imidazolelactic acid
ME324254
440129
C05568
2040
157.06077
2-ketocaprylate
2-Keto-octanoic acid
ME323805
67600
-
3951
157.08701
N-acetylproline
N-Acetyl-proline
ME324368
322640
-
1695
158.08117
N-acetylvaline
N-Acetylvaline
ME324375
66789
-
1704
158.08226
homostachydrine*
(S)-Homostachydrine
ME324239
441447
C08283
1750
158.11756
2-aminooctanoate
2-Aminocaprylic acid
ME323784
69522
-
3385
158.11865
3-methyladipate
3-Methyladipic acid
ME323875
12292
-
2865
159.06628
N-carbamoylvaline
-
ME324379
5151292
-
1270
159.07751
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME323799
94180
-
3736.8
159.10266
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME323858
26613
-
3446
159.10266
indole-3-carboxylate
Indole-3-carboxylic acid
ME324257
69867
C19837
1710
160.0404
2-aminoadipate
alpha-Aminoadipic acid
ME323781
469
C00956
3500
160.06153
N-acetylthreonine
N-Acetylthreonine
ME324372
152204
-
821.6
160.06153
3-hydroxystachydrine*
3-Hydroxystachydrine
ME323864
442640
-
1049
160.09682
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME324339
-
-
2186
160.13321
pregabalin
Pregabalin
ME324499
4715169
-
3123
160.13321
4-hydroxy-2-oxoglutaric acid
4-Hydroxy-2-oxoglutaric acid
ME323898
599
C01127
3073
161.00916
4-hydroxycoumarin
4-Hydroxycoumarin
ME323900
54682930
C20414
2470
161.02441
2-hydroxyadipate
2-Hydroxyadipic acid
ME323791
193530
C02360
3000
161.04554
3-hydroxyadipate*
3-Hydroxy-adipic acid
ME323843
151913
-
3131
161.04554
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME323842
1662
C03761
2850
161.04555
N6-methyllysine
N(6)-Methyllysine
ME324415
164795
C02728
2831
161.12846
acesulfame
Acesulfame
ME323949
36573
-
756
161.98665
3-hydroxybutyroylglycine**
-
ME323845
-
-
978
162.07608
carnitine
Carnitine
ME324029
10917
C00318
1978
162.11247
phenylpyruvate
Phenylpyruvic acid
ME324491
997
C00166
2515
163.04007
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME323666
64960
C07326
802
163.06119
norcotinine
Norcotinine
ME324424
413
-
2156
163.08659
5-hydroxylysine
5-Hydroxylysine
ME323927
1029
C16741
2790
163.10772
N-formylanthranilic acid
Formylanthranilic acid
ME324382
101399
C05653
900
164.03531
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME323901
439902
C03079
1141
164.05535
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME323983
-
-
2700
165.04046
pentose acid*
Valeric acid
ME324480
-
-
2180
165.04046
ribonate
Ribonic acid
ME324523
5460677
C01685
2425
165.04046
ribulonate/xylulonate/lyxonate*
-
ME324524
-
-
2350
165.04046
1-methylxanthine
1-Methylxanthine
ME323708
80220
C16358
1568.8
165.0418
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME323825
91
C11457
1980
165.05571
phenyllactate (PLA)
Phenyllactic acid
ME324490
3848
C05607
2208
165.05571
N-acetyltaurine
N-Acetyltaurine
ME324371
159864
-
1249
166.01795
methionine sulfoxide
Methionine sulfoxide
ME324323
158980
C02989
1272
166.05325
citramalate
Citramalic acid
ME324055
1081
C00815
1224
166.071
7-methylguanine
7-Methylguanine
ME323945
11361
C02242
2175
166.07234
phenylalanine
Phenylalanine
ME324489
6140
C00079
2878
166.08626
urate
Uric acid
ME324625
1175
C00366
757.1
167.02106
erythritol
Erythritol
ME324130
222285
C00503
1491
167.05611
3-methylxanthine
3-Methylxanthine
ME323880
70639
C16357
1415
167.05636
7-methylxanthine
7-Methylxanthine
ME323947
68374
C16353
1350
167.05636
quinolinate
Quinolinic acid
ME324519
1066
C03722
845
168.02914
N-(2-furoyl)glycine
2-Furoylglycine
ME324344
21863
-
1230
168.03023
1-methylhistidine
1-Methylhistidine
ME323705
92105
C01152
1227
168.07785
3-methylhistidine
3-Methylhistidine
ME323879
64969
C01152
906.3
168.07785
(2 or 3)-decenoate (10:1n7 or n8)
Decenoic acid
ME323654
-
-
4990
169.1234
branched-chain, straight-chain, or cyclopropyl 10:...
Decenoic acid
ME324013
-
-
4805
169.1234
branched-chain, straight-chain, or cyclopropyl 10:...
-
ME324014
-
-
4853
169.1234
branched-chain, straight-chain, or cyclopropyl 10:...
-
ME324015
-
-
4931
169.1234
cis-4-decenoate (10:1n6)*
4Z-Decenoic acid
ME324049
5312351
-
4890
169.1234
4-methylbenzenesulfonate
Toluene-4-sulfonic acid
ME323909
6101
C06677
2350
171.01213
hydantoin-5-propionate
Hydantoin-5-propionic acid
ME324241
782
C05565
2080
171.04113
caprate (10:0)
Capric acid
ME324024
2969
C01571
5090.7
171.13905
hexanoylglycine
Hexanoylglycine
ME324233
99463
-
2900
172.09791
N-acetylleucine
N-Acetylleucine
ME324364
70912
C02710
2400
172.09791
phenol sulfate
Phenyl hydrogen sulfate
ME324483
74426
C02180
2156
172.9914
aconitate [cis or trans]
cis-Aconitic acid
ME323953
-
-
580
173.00916
isocitric lactone
Isocitric acid lactone
ME324270
98259
-
2970
173.00916
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME324188
754
C00093
580
173.02095
suberate (C8-DC)
Suberic acid
ME324577
10457
C08278
2577.6
173.08193
prolylglycine
Pro-Gly
ME324508
6426709
-
2136
173.09207
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME324380
9920500
-
858
173.09316
valylglycine
Val-Gly
ME324630
136487
-
1506
173.09316
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME323862
-
-
1595.5
173.98665
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME324355
65065
C01042
3143
174.04079
guanidinosuccinate
Guanidinosuccinic acid
ME324220
97856
C03139
3550
174.05203
1H-indole-7-acetic acid
1H-Indole-7-acetic acid
ME323772
-
-
2862
174.05605
indoleacetate
Indoleacetic acid
ME324258
802
C00954
2200
174.05605
2-oxoarginine*
2-Oxoarginine
ME323812
558
C03771
1760
174.08732
N-carbamoylaspartate
N-Carbamoylaspartic acid
ME324378
93072
C00438
3800
175.03604
formiminoglutamate
Formiminoglutamic acid
ME324144
439233
C00439
1880
175.07134
arginine
Arginine
ME323990
232
C00062
2825
175.11896
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME324411
193344
C05545
2831
175.14411
N-formylmethionine
N-Formylmethionine
ME324383
439750
C03145
1543.8
176.03869
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME324027
2572
-
2085
176.09174
argininate*
Argininic acid
ME323989
160437
-
2150
176.10297
citrulline
Citrulline
ME324057
9750
C00327
1520
176.10297
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
ME323777
-
-
1156
177.0227
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME323804
161227
C00204
1900
177.04046
cotinine
Cotinine
ME324061
854019
-
2213
177.10224
serotonin
Serotonin
ME324536
5202
C00780
2550
177.10224
(2-butoxyethoxy)acetic acid
-
ME323656
106312
-
3177
177.11214
hippurate
Hippuric acid
ME324234
464
C01586
2106.9
178.05096
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME323905
979
C01179
1690
179.03498
picolinoylglycine
Picolinoylglycine
ME324495
11788622
-
1867
179.04621
cysteinylglycine
Cys-Gly
ME324071
439498
C01419
2132
179.0485
paraxanthine
Paraxanthine
ME324478
4687
C13747
2279
179.05745
theophylline
Theophylline
ME324603
2153
C07130
2356.9
179.05745
1-methylurate
1-Methyluric acid
ME323707
69726
C16359
1900
181.03671
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME323827
9378
C03672
1379
181.05063
homovanillate (HVA)
Homovanillic acid
ME324240
1738
C05582
1649
181.05063
mannitol/sorbitol
Sorbitol
ME324314
5780
C00794
2320
181.07176
theobromine
Theobromine
ME324602
5429
C07480
1600
181.07201
saccharin
Saccharin
ME324529
5143
D01085
2000
181.99173
pyridoxate
4-Pyridoxic acid
ME324513
6723
C00847
2185
182.04588
methionine sulfone
Methionine sulfone
ME324322
69961
-
1250
182.04816
tyrosine
Tyrosine
ME324620
6057
C00082
2430
182.08117
7-methylurate
7-Methyluric acid
ME323946
69160
C16355
1321
183.05127
acisoga
Acisoga
ME323952
129397
-
2297
183.1139
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME323765
14891
C13910
5085.8
183.13905
choline phosphate
Choline phosphate
ME324047
1014
C00588
700
184.07332
3-phosphoglycerate
3-Phosphoglyceric acid
ME323882
724
C00597
590
187.00022
o-cresol sulfate
o-Cresol sulfate
ME324426
11615528
-
2796
187.00705
p-cresol sulfate
p-Cresol sulfate
ME324455
4615423
-
2890
187.00705
N-acetylglutamine
N-Acetylglutamine
ME324361
182230
C02716
771
187.07243
azelate (C9-DC)
Azelaic acid
ME323996
2266
C08261
1276
187.09758
isoleucylglycine
Ile-Gly
ME324272
342532
-
1992
187.10881
N6-acetyllysine
N6-Acetyllysine
ME324412
92832
C02727
1059
187.10881
2-hydroxydecanoate
2-Hydroxycapric acid
ME323793
21488
-
4840
187.13396
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME323847
26612
-
4634.7
187.13396
2-aminophenol sulfate
2-Aminophenyl sulfate
ME323785
181670
-
1677
188.0023
3-hydroxy-2-methylpyridine sulfate
-
ME323841
-
-
1849
188.0023
5-hydroxy-2-methylpyridine sulfate
-
ME323923
-
-
2074
188.0023
3-indoleglyoxylic acid
-
ME323866
73863
-
2140
188.03531
kynurenate
Kynurenic acid
ME324277
3845
C01717
2224
188.03531
N-acetylglutamate
N-Acetylglutamic acid
ME324360
70914
C00624
3106
188.05644
indolepropionate
3-Indolepropionic acid
ME324263
3744
-
2795
188.0717
1-carboxyethylvaline
1-Carboxyethylvaline
ME323691
-
-
2008
188.09283
homocitrulline
Homocitrulline
ME324238
65072
C02427
789
188.10406
(N(1) + N(8))-acetylspermidine
Asparagine
ME323657
-
-
3080
188.17574
catechol sulfate
Catechol sulfate
ME324034
3083879
-
1906
188.98631
hydroquinone sulfate
Quinol sulfate
ME324243
161220
C00530
1395
188.98631
leucylglycine
Leu-Gly
ME324289
79070
-
2778
189.12337
homoarginine
Homoarginine
ME324237
9085
C01924
2882
189.13461
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME324410
440120
C03793
2825
189.15976
N-acetylmethionine
N-Acetylmethionine
ME324365
448580
C02712
1787
190.05434
methyl indole-3-acetate
Indole-3-methyl acetate
ME324325
74706
-
3380
190.08626
citrate
Citric acid
ME324056
311
C00158
582
191.01973
quinate
Quinic acid
ME324517
6508
C00296
2432.9
191.05611
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME323926
1826
C05635
1893
192.06552
N-formylphenylalanine
N-Formylphenylalanine
ME324384
759256
-
2360
192.06661
phenylacetylglycine
Phenylacetylglycine
ME324488
68144
C05598
2375
192.06661
glucuronate
Glucuronic acid
ME324173
444791
C00191
3233.3
193.03537
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME324324
-
-
1070
193.0718
cotinine N-oxide
Cotinine N-oxide
ME324062
9815514
-
1377
193.09716
hydroxycotinine
trans-3-Hydroxycotinine
ME324247
10219774
-
2030
193.09716
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME323795
10253
C07588
2184
194.04588
3-hydroxyhippurate
3-Hydroxyhippuric acid
ME323852
450268
-
1687
194.04588
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME323902
151012
-
1475
194.04588
galactonate
Galactonic acid
ME324149
128869
C00880
3085
195.05102
gluconate
Gluconic acid
ME324171
10690
C00257
2922
195.05102
gulonate*
Gulonic acid
ME324222
152304
C00257
2750
195.05102
mannonate*
Mannonic acid
ME324315
3246006
-
2736
195.05102
arabinose
Arabinose
ME323981
66308
C00216
1804.5
195.05103
xylose
Xylose
ME324640
135191
C00181
1727
195.05103
1,3-dimethylurate
1,3-Dimethyluric acid
ME323665
70346
-
1671.4
195.05236
1,7-dimethylurate
1,7-Dimethyluric acid
ME323667
91611
C16356
1578.6
195.05236
3,7-dimethylurate
3,7-Dimethyluric acid
ME323823
83126
C16360
1418
195.05236
caffeine
Caffeine
ME324022
2519
C07481
2106
195.08766
dodecadienoate (12:2)*
Dodecadienoic acid
ME324112
-
-
5146
195.13905
N-acetylhistidine
N-Acetylhistidine
ME324363
75619
C02997
2088
196.07276
vanillylmandelate (VMA)
Vanillylmandelic acid
ME324633
1245
C05584
941
197.04555
5-acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME323919
88299
C16366
1710
197.06801
decadienedioic acid (C10:2-DC)**
-
ME324076
-
-
2329.7
197.08185
branched-chain, straight-chain, or cyclopropyl 12:...
-
ME324016
-
-
5261
197.15457
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME323921
5312378
-
5224
197.1547
histidine betaine (hercynine)*
Hercynine
ME324236
3083620
-
2094
198.12371
4-vinylphenol sulfate
4-Hydroxystyrene
ME323914
6426766
C05627
3320
199.00705
laurate (12:0)
Lauric acid
ME324285
3893
C02679
5300
199.17035
N-acetyl-2-aminooctanoate*
N-Acetyl-2-aminooctanoic acid
ME324347
95555
-
3943
200.12921
(2,4 or 2,5)-dimethylphenol sulfate
-
ME323655
-
-
3474
201.0227
2-ethylphenylsulfate
-
ME323787
-
-
3416
201.0227
4-ethylphenylsulfate
4-Ethylphenol
ME323896
-
C13637
3580
201.0227
sebacate (C10-DC)
Sebacic acid
ME324533
5192
C08277
1788
201.11323
cysteine s-sulfate
Cysteine-S-sulfate
ME324068
115015
C05824
565
201.98384
indolebutyrate
3-Indolebutyric acid
ME324261
8617
C11284
3308
202.08735
1-carboxyethylisoleucine
1-Carboxyethylisoleucine
ME323687
-
-
2628
202.10848
1-carboxyethylleucine
1-Carboxyethylleucine
ME323688
-
-
2663
202.10848
acetylcarnitine (C2)
CAR 2:0
ME323951
1
C02571
946.4
202.10848
dimethylguanidino valeric acid (DMGV)*
DMGV
ME324102
-
-
1891
202.11862
3-methyl catechol sulfate (1)
-
ME323871
-
-
2790
203.00196
3-methyl catechol sulfate (2)
-
ME323872
-
-
2860
203.00196
4-methoxyphenol sulfate
4-Methoxyphenol sulfate
ME323907
-
-
2412
203.00196
4-methylcatechol sulfate
-
ME323910
-
-
2665
203.00196
guaiacol sulfate
Guaiacol sulfate
ME324218
22473
-
2344
203.00196
leucylalanine
Leu-Ala
ME324288
259321
-
2801
203.13902
N2-acetyl,N6-methyllysine
N2-Acetyl,N6-methyllysine
ME324407
-
-
2168
203.13902
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME324351
-
-
2305
203.13902
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME324100
123831
C03626
2850
203.15026
cinnamoylglycine
Cinnamoylglycine
ME324048
709625
-
3127
204.06661
indolelactate
Indolelactic acid
ME324262
92904
C02043
2286
204.06661
1,2,3-benzenetriol sulfate (2)
-
ME323660
-
-
1709
204.98123
gamma-glutamylglycine
gamma-Glutamylglycine
ME324159
165527
-
1535
205.0819
tryptophan
Tryptophan
ME324617
6305
C00078
2986
205.09716
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME324414
123800
-
2500
205.11829
ibuprofen
Ibuprofen
ME324252
3672
D00126
4925
205.1234
hydroxy-N6,N6,N6-trimethyllysine*
-
ME324245
-
-
2759
205.15468
xanthurenate
Xanthurenic acid
ME324638
5699
C02470
2236
206.04479
N-acetylphenylalanine
N-Acetylphenylalanine
ME324367
74839
C03519
2597
206.08226
lanthionine
Lanthionine
ME324284
98504
-
1730
209.05906
sedoheptulose
Glucoheptulose
ME324534
5459879
-
2255
209.06667
1,3,7-trimethylurate
1,3,7-Trimethyluric acid
ME323664
79437
C16361
1985
209.06801
kynurenine
Kynurenine
ME324278
161166
C00328
2739
209.09207
isocitrate
Isocitric acid
ME324269
1198
C00311
773
210.0608
vanillactate
Vanillactic acid
ME324631
160637
-
1625
211.06119
3-indoxyl sulfate
Indoxyl sulfate
ME323867
10258
-
2222.2
212.0023
5-hydroxyindole sulfate
-
ME323925
-
-
1928
212.0023
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME323941
-
-
2498
212.0023
3-methoxytyrosine
3-Methoxytyrosine
ME323870
1670
-
2555
212.09174
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME324346
193270
-
2100
212.1028
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME324348
193270
-
2056
212.10297
4-allylphenol sulfate
4-Allylphenol sulfate
ME323893
-
-
3805
213.0227
3-acetylphenol sulfate
3-Acetylphenol sulfate
ME323831
-
-
2477
215.00196
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME323891
4684006
-
2375
215.00196
desmethylnaproxen
O-Desmethylnaproxen
ME324084
13393711
-
3045
215.07136
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME324405
10398396
-
1367
215.10373
undecanedioate (C11-DC)
Undecanedioic acid
ME324622
15816
-
2440
215.12888
2-hydroxylaurate
2-Hydroxylauric acid
ME323797
97783
-
5211
215.16526
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME323856
94216
-
5175
215.16526
tyramine O-sulfate
Tyramine-O-sulfate
ME324619
153005
-
1565
216.0336
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME324189
123874
C01233
659
216.06315
N-acetylcitrulline
N-Acetylcitrulline
ME324357
656979
C15532
940
216.09898
3-ethylcatechol sulfate (1)
-
ME323838
-
-
3422
217.01761
4-ethylcatechol sulfate
-
ME323895
-
-
3379
217.01761
4-methylguaiacol sulfate
-
ME323911
-
-
2978
217.01761
2-hydroxysebacate
2-Hydroxy-decanedioic acid
ME323802
128458
-
1324
217.10814
3-hydroxysebacate
3-Hydroxysebacic acid
ME323863
3017884
-
1282
217.10814
N-acetylarginine
N-Acetylarginine
ME324354
67427
C02562
2245
217.12952
N2-acetyl,N6,N6-dimethyllysine
N2-Acetyl,N6,N6-dimethyllysine
ME324406
-
-
2172
217.15467
8-methoxykynurenate
-
ME323948
76230
C05830
2863
218.04588
pantothenate
Pantothenic acid
ME324477
6613
C00864
1498.7
218.10339
propionylcarnitine (C3)
CAR 3:0
ME324509
107738
C03017
2590
218.13869
3-methoxycatechol sulfate (1)
-
ME323868
-
-
2163
218.99688
3-methoxycatechol sulfate (2)
-
ME323869
-
-
2200
218.99688
gamma-glutamylalanine
gamma-Glutamylalanine
ME324155
440103
-
1986
219.09755
N-acetylalliin
N-Acetylalliin
ME324353
-
-
1348
220.06381
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME324358
24139
-
1897
220.08264
glycine conjugate of C10H12O2*
-
ME324194
-
-
4005
220.09791
3,5-dichloro-2,6-dihydroxybenzoic acid
3,5-Dichloro-2,6-dihydroxybenzoic acid
ME323822
-
-
4412
220.94138
2-hydroxyibuprofen
2-Hydroxyibuprofen
ME323796
10443535
-
3462
221.11831
N-acetyltyrosine
N-Acetyltyrosine
ME324374
68310
-
1680
222.07718
glycine conjugate of C10H14O2 (1)*
-
ME324195
-
-
4335
222.11356
2-naphthol sulfate
2-Naphthyl sulfate
ME323810
74428
-
3658
223.00705
cystathionine
Cystathionine
ME324066
439258
C02291
2270
223.07471
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME324599
5312409
-
5292
223.17035
succinoyltaurine
-
ME324580
-
-
2572
224.02343
vanillic acid glycine
-
ME324632
3083688
-
1682
224.05644
androstenediol (3beta,17beta) disulfate (1)
4-Androsten-3beta,17beta-diol disulfate
ME323974
87120982
C04295
3740
224.06182
androstenediol (3beta,17beta) disulfate (2)
4-Androsten-3beta,17beta-diol disulfate
ME323975
87120982
C04295
4065
224.0624
fructose
Fructose
ME324145
5984
C00095
2065
225.06159
glucose
Glucose
ME324172
5793
C00031
2342
225.06159
mannose
Mannose
ME324316
18950
C00159
2200
225.06159
myo-inositol
Myo-inositol
ME324331
892
C00137
3506.3
225.06159
5-acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME323920
108214
C16365
1424
225.06292
5alpha-androstan-3alpha,17beta-diol disulfate
5alpha-Androstan-3alpha,17beta-diol disulfate
ME323931
-
-
4275
225.06965
5alpha-androstan-3beta,17alpha-diol disulfate
5alpha-Androstan-3beta,17alpha-diol disulfate
ME323934
-
-
4215
225.06965
5alpha-androstan-3beta,17beta-diol disulfate
-
ME323935
242332
C12525
3880
225.06965
myristoleate (14:1n5)
Myristoleic acid
ME324333
5281119
C08322
5346.9
225.186
ethyl alpha-glucopyranoside
-
ME324133
428040
-
1248
226.12852
2'-deoxyuridine
Deoxyuridine
ME323773
13712
C00526
1586
227.0673
lithocholate sulfate (1)
Lithocholic acid sulfate
ME324305
-
-
4811
227.12
lithocholic acid sulfate (2)
Lithocholic acid sulfate
ME324306
-
-
5028
227.12
dodecenedioate (C12:1-DC)*
Traumatic acid
ME324114
-
-
2700
227.12887
myristate (14:0)
Myristic acid
ME324332
11005
C06424
5440
227.20165
3-hydroxyindolin-2-one sulfate
-
ME323854
-
-
2082
227.99721
4-allylcatechol sulfate
-
ME323892
-
-
3571
229.01761
4-vinylguaiacol sulfate
4-Vinylguaiacol sulfate
ME323913
-
-
3354
229.01761
thymol sulfate
-
ME324607
-
C09908
4410
229.054
naproxen
Naproxen
ME324417
156391
C01517
4155
229.08702
pro-hydroxy-pro
Pro-hydroxyPro
ME324506
11673055
-
2128
229.11829
dodecanedioate (C12-DC)
Dodecanedioic acid
ME324113
12736
C02678
2990
229.14453
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME324340
-
-
2470
229.15467
2-acetamidophenol sulfate
2-Acetamidophenol sulfate
ME323780
181671
-
2251
230.01286
4-acetaminophen sulfate
Paracetamol sulfate
ME323889
83939
C06804
1792
230.01287
ergothioneine
Ergothioneine
ME324128
3032311
C05570
850
230.09578
4-acetylcatechol sulfate (1)
-
ME323890
-
-
1774
230.99688
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME324326
-
-
2873
230.99688
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME324115
122136
C13690
1556.2
232.02845
dopamine 4-sulfate
Dopamine 4-sulfate
ME324116
123932
C13691
1511
232.02848
butyrylcarnitine (C4)
CAR 4:0
ME324018
439829
C02862
2860
232.15434
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME324267
168379
-
2810
232.15434
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME324152
-
-
2380
233.1132
carboxyibuprofen
Carboxyibuprofen
ME324028
10444113
-
1920
235.09758
chenodeoxycholic acid sulfate (1)
Chenodeoxycholic acid sulfate
ME324043
-
-
4531
235.11746
deoxycholic acid (12 or 24)-sulfate*
Deoxycholic acid
ME324081
-
-
4580
235.11746
isoursodeoxycholate sulfate (1)
-
ME324274
-
-
4082
235.11746
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME323689
-
-
2844
236.09283
pregnenediol disulfate (C21H34O8S2)*
-
ME324501
-
-
3868
238.07747
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME323937
-
-
3962
239.0853
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME323836
123979
-
2800
239.09249
ethyl glucuronide
Ethyl glucuronide
ME324134
152226
-
1181
240.10778
umbelliferone sulfate
Umbelliferone sulfate
ME324621
129659
-
2440
240.98123
cystine
Cystine
ME324073
67678
C00491
2000
241.03113
glutamine conjugate of C6H10O2 (1)*
-
ME324181
-
-
2404
241.11938
glutamine conjugate of C6H10O2 (2)*
-
ME324182
-
-
2526
241.11938
tridecenedioate (C13:1-DC)*
-
ME324614
-
-
3051
241.14453
(12 or 13)-methylmyristate (a15:0 or i15:0)
Isopentadecylic acid
ME323651
151014
-
5499
241.2173
pentadecanoate (15:0)
Pentadecylic acid
ME324479
13849
C16537
5521
241.2173
eugenol sulfate
Eugenol sulfate
ME324137
180632
-
3782
243.03326
pseudouridine
Pseudouridine
ME324512
15047
C02067
1100
243.06226
uridine
Uridine
ME324627
6029
C00299
1457.6
243.06226
hexanoylglutamine
Hexanoylglutamine
ME324232
-
-
2780
243.13503
3-hydroxymyristate
3-Hydroxytetradecanoic acid
ME323857
16064
-
5335
243.19656
cytidine
Cytidine
ME324074
6175
C00475
2124
244.0928
tiglylcarnitine (C5:1-DC)
CAR DC5:1
ME324609
22833596
-
2962
244.15434
4-hydroxychlorothalonil
4-Hydroxychlorothalonil
ME323899
34217
-
4427
244.90817
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME323826
187488
-
1294
245.01253
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME323817
134595
-
3935
245.06711
5,6-dihydrouridine
5,6-Dihydrouridine
ME323917
94312
-
1119
245.07791
N-acetyltryptophan
N-Acetyl-tryptophan
ME324373
700653
C03137
2630
245.09316
3-hydroxydodecanedioate*
3-Hydroxy-dodecanedioic acid
ME323849
16663321
-
2252
245.13944
2-hydroxyacetaminophen sulfate*
2-Hydroxyacetaminophen sulfate
ME323790
86290013
-
1674
246.00778
pregnenetriol disulfate*
-
ME324503
-
-
3504
246.07493
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME323809
6426901
-
3050
246.16999
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME324276
6426851
-
3085
246.16999
gamma-glutamylvaline
gamma-Glutamylvaline
ME324168
7015683
-
2700
247.12885
tryptophan betaine
Lenticin
ME324618
442106
C09213
2673
247.14411
malonylcarnitine
CAR DC3:0
ME324311
22833583
-
2086
248.11287
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME323658
53481617
-
2400
248.14925
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME323659
-
-
2340
248.14925
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME324165
76078708
-
1750
249.10812
N-desmethyl tramadol
-
ME324381
10354700
-
3360
250.18016
O-desmethyltramadol
O-Desmethyltramadol
ME324427
130829
-
3045
250.18016
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME324227
-
-
5398
251.20165
1-carboxyethyltyrosine
1-Carboxyethyltyrosine
ME323690
-
-
1846
252.08774
pyrraline
Pyrraline
ME324515
122228
-
2304
253.11938
tetradecadienedioate (C14:2-DC)*
-
ME324598
-
-
3148
253.14453
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME323722
-
-
6094
253.21727
palmitoleate (16:1n7)
Palmitoleic acid
ME324457
445638
C08362
5475
253.2173
glycocholenate sulfate*
Glycocholenate sulfate
ME324201
-
-
4750
254.62291
ascorbic acid 3-sulfate*
-
ME323992
11425365
-
621
254.98136
ascorbic acid 2-sulfate
-
ME323991
86484
-
3042
254.98162
hydroxy-CMPF*
-
ME324244
-
-
1516
255.08741
glutamine conjugate of C7H12O2*
-
ME324183
-
-
3053
255.13502
palmitate (16:0)
Palmitic acid
ME324456
985
C00249
5618
255.23295
glycolithocholate sulfate*
Sulfoglycolithocholic acid
ME324205
72222
C11301
5011
255.63073
2'-O-methyluridine
2'-O-Methyluridine
ME323775
102212
-
1831
257.07791
5-methyluridine (ribothymidine)
Ribothymidine
ME323929
445408
-
1778.1
257.07791
4-methylhexanoylglutamine
-
ME323912
-
-
3390
257.15068
branched chain 14:0 dicarboxylic acid**
-
ME324012
-
-
3849
257.17583
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME324600
13185
-
3985
257.17583
2'-O-methylcytidine
2'-O-Methylcytidine
ME323774
150971
-
2411
258.10845
3-methylcytidine
3-Methylcytidine
ME323876
159649
-
2176
258.10845
caffeic acid sulfate
-
ME324021
-
-
1307
258.99179
propyl 4-hydroxybenzoate sulfate
-
ME324511
-
-
3971
259.02818
1-ribosyl-imidazoleacetate*
Imidazoleacetic acid riboside
ME323743
5117448
C05131
2006
259.09247
2-methoxyacetaminophen sulfate*
2-Methoxyacetaminophen sulfate
ME323808
86290014
-
1949
260.02343
O-sulfo-L-tyrosine
Sulfotyrosine
ME324430
514186
-
990
260.02343
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME324192
3081457
-
577
260.05298
hexanoylcarnitine (C6)
CAR 6:0
ME324231
6426853
-
800
260.18564
dihydrocaffeate sulfate (2)
Dihydrocaffeic acid 3-sulfate
ME324096
49844181
-
1328
261.00744
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME324161
14253342
-
2940
261.1445
gamma-glutamylleucine
gamma-Glutamylleucine
ME324162
151023
-
2991
261.1445
succinylcarnitine (C4-DC)
CAR DC4:0
ME324581
71464481
-
2291
262.12852
beta-hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME324006
-
-
2584
262.1649
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME324487
92258
C04148
2330
263.10373
gamma-CEHC
gamma-CEHC
ME324150
133098
-
3843
263.12888
glycochenodeoxycholate 3-sulfate
Glycochenodeoxycholic acid 3-sulfate
ME324198
-
-
4820
263.62819
glycodeoxycholate 3-sulfate
Glycodeoxycholic acid 3-sulfate
ME324203
-
-
4875
263.62819
glycoursodeoxycholic acid sulfate (1)
-
ME324216
-
-
4309
263.62819
phenylacetylglutamate
N-Phenylacetylglutamic acid
ME324486
11579826
-
1570
264.08774
O-desmethylvenlafaxine
Desvenlafaxine
ME324429
125017
D07793
3253
264.19581
tramadol
Tramadol
ME324610
33741
C07153
3288
264.19581
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*
3-Bromo-5-chloro-2,6-dihydroxybenzoic acid
ME323834
-
-
4505
264.89087
benzoylcarnitine*
Benzoylcarnitine
ME324001
-
-
3041
266.13869
allopurinol riboside
Allopurinol riboside
ME323963
-
-
1660
267.07349
inosine
Inosine
ME324265
6021
C00294
1602.1
267.07349
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ME323835
194501
-
4000
267.12379
atenolol
Atenolol
ME323995
2249
D00235
2668
267.17032
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME323762
5312435
-
5555
267.23295
metoprolol acid metabolite*
-
ME324330
62936
-
2950
268.15434
metoprolol
Metoprolol
ME324329
4171
D02358
3312
268.19072
N-acetylcarnosine
N-Acetylcarnosine
ME324356
9903482
-
2141
269.12444
retinol (Vitamin A)
Retinol
ME324521
445354
C00473
1636
269.22639
margarate (17:0)
Margaric acid
ME324317
10465
-
5731
269.2486
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME323652
17903417
-
5695
269.24868
3-(cystein-S-yl)acetaminophen*
3-(Cystein-S-yl)acetaminophen
ME323828
5233914
-
2420
271.07471
16-hydroxypalmitate
Juniperic acid
ME323770
10466
C18218
5236.2
271.22786
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME323800
92836
-
5511.2
271.22786
3-hydroxypyridine glucuronide
-
ME323861
-
-
1657
272.07648
hexadecasphingosine (d16:1)*
C16 Sphingosine
ME324229
-
-
1289
272.25841
ferulic acid 4-sulfate
Ferulic acid 4-sulfate
ME324139
6305574
-
1255
273.00744
3-hydroxyhippurate sulfate
-
ME323853
186339
-
1047
274.00269
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME324158
150914
C05283
3720
274.10446
dihydroferulic acid sulfate
Dihydroferulic acid 4-sulfate
ME324097
187489
-
1520
275.02309
stearidonate (18:4n3)
Stearidonic acid
ME324571
5312508
C16300
5395
275.20165
3-(methylthio)acetaminophen sulfate*
-
ME323829
-
-
2265
276.00059
glutarylcarnitine (C5-DC)
CAR DC5:0
ME324185
71464488
-
2393
276.14417
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME324153
65254
-
2784
276.1554
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME324154
7015685
-
2725
276.1554
3-hydroxyhexanoylcarnitine (1)
CAR 6:0;3OH
ME323851
-
-
2918
276.18055
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME324157
92865
C05282
1775
277.10303
1-linolenoylglycerol (18:3)
MG 18:3
ME323695
53480978
-
6214
277.21728
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME324293
5280934
C06426
5450
277.2173
venlafaxine
Venlafaxine
ME324634
5656
C07187
848
278.21146
3-hydroxyphenylacetoylglutamine
-
ME323860
-
-
1825
279.09864
4-hydroxyphenylacetylglutamine
4-Hydroxyphenylacetylglutamine
ME323904
-
-
1650
279.09864
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME324163
7009567
-
2640
279.10092
1-linoleoylglycerol (18:2)
MG 18:2
ME323702
5283469
-
6477
279.23293
2-linoleoylglycerol (18:2)
MG 18:2
ME323806
5365676
-
6250
279.23293
linoleate (18:2n6)
Linoleic acid
ME324292
5280450
C01595
5535
279.23295
taurocholenate sulfate*
Taurocholenate sulfate
ME324594
-
-
4750
279.61422
phenylacetylcarnitine
-
ME324485
101724840
-
3092
280.15434
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME324597
440071
C03642
5027
280.62205
6-bromotryptophan
6-Bromotryptophan
ME323940
-
-
3565
280.99311
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME323720
5283468
-
6650
281.24858
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME323811
5319879
-
6500
281.24858
oleate/vaccenate (18:1)
Oleic acid
ME324437
-
-
5655
281.2486
N1-methyladenosine
1-Methyladenosine
ME324402
27476
C02494
2120
282.11969
p-cresol glucuronide*
P-Cresol glucuronide
ME324454
154035
-
2420
283.08232
N1-methylinosine
1-Methylinosine
ME324403
65095
-
1430
283.1037
hexadecenedioate (C16:1-DC)*
-
ME324230
-
-
4380
283.19148
stearate (18:0)
Stearic acid
ME324570
5281
C01530
5872
283.26425
N4-acetylcytidine
N4-Acetylcytidine
ME324409
107461
-
2040
284.08881
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME324160
7017195
-
2740
285.11935
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME324228
10459
C19615
4615
285.20713
retinal
Retinal
ME324520
638015
C00376
1666
285.2213
piperine
Piperine
ME324498
638024
C03882
1168
286.14377
orotidine
Orotidine
ME324451
92751
-
2250
287.05209
octanoylcarnitine (C8)
CAR 8:0
ME324436
123701
C02838
950
288.21694
taurochenodeoxycholic acid 3-sulfate
Taurochenodeoxycholic acid 3-sulfate
ME324592
-
-
4809
288.61951
taurodeoxycholic acid 3-sulfate
Taurodeoxycholic acid 3-sulfate
ME324596
-
-
4850
288.61951
3-methylglutarylcarnitine (2)
CAR DC5:0;3Me
ME323878
128145
-
2687
290.15982
adipoylcarnitine (C6-DC)
CAR DC6:0
ME323958
71296139
-
2570
290.15982
EDTA
Edetic acid
ME324118
6049
C00284
643
291.08339
N-acetyl sulfapyridine
N4-Acetylsulfapyridine
ME324345
58638
-
2146
292.07504
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME324164
111299
-
1825
293.11429
desmethylnaproxen sulfate
-
ME324085
184679
-
2250
295.02818
13-HODE + 9-HODE
HODE
ME323768
43013
-
5275
295.22825
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME323764
5312513
-
5780
295.26425
hydrochlorothiazide
Hydrochlorothiazide
ME324242
3639
C07041
2046
295.95719
N2-methylguanosine
2-Methylguanosine
ME324408
3035422
-
1988
296.10004
norfluoxetine
-
ME324425
4541
-
1008
296.12568
didesmethylcitalopram*
-
ME324090
-
-
876
297.13977
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME323653
3083779
-
5993
297.2799
nonadecanoate (19:0)
Nonadecylic acid
ME324422
12591
C16535
6068
297.2799
cysteinylglycine disulfide*
Cysteinylglycine disulfide
ME324072
-
-
2547
298.05259
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME323928
439176
C00170
2752
298.09684
sphingadienine
Sphingadienine
ME324539
6449795
-
1350
298.27406
2-hydroxystearate
2-Hydroxystearic acid
ME323803
69417
C03045
5695
299.25917
3-hydroxystearate
3-Hydroxystearic acid
ME323865
5282907
-
5674
299.25917
sphingosine
Sphingosine
ME324567
5353955
C00319
1393
300.28971
eicosapentaenoate (EPA; 20:5n3)
EPA
ME324120
446284
C06428
5450
301.2173
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME324191
71920
C00670
3003.1
302.10102
indoleacetylglutamine
Indoleacetyl glutamine
ME324260
25200879
-
2535
302.11463
nonanoylcarnitine (C9)
CAR 9:0
ME324423
-
-
1003
302.23259
sphinganine
Sphinganine
ME324540
3126
C00836
1413
302.30536
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME324349
5255
C12270
3900
303.08339
1-arachidonylglycerol (20:4)
MG 20:4
ME323686
5282281
C13857
6250
303.23293
2-arachidonoylglycerol (20:4)
MG 20:4
ME323786
5282280
C13856
6170
303.23293
arachidonate (20:4n6)
Arachidonic acid
ME323985
444899
C00219
5535
303.23295
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME324496
-
-
2773
304.17547
gamma-glutamylcitrulline*
-
ME324156
-
-
1644
305.14556
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME323692
-
-
6400
305.24858
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME324092
5280581
C03242
5596
305.2486
warfarin
Warfarin
ME324636
-
C01541
3790
307.09758
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME324091
6439848
C16525
5730
307.26425
zolpidem
Zolpidem
ME324641
-
-
3346
308.17574
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME324167
94340
-
1240
309.10921
fructosyllysine
Fructosyllysine
ME324146
123708
-
2784
309.16563
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME324431
-
-
4676
309.20714
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME323693
-
-
6150
309.22236
eicosenoate (20:1)
cis-Gondoic acid
ME324123
5282768
C16526
5950
309.2799
citalopram propionate*
-
ME324053
10403174
C16610
4400
310.08849
N-acetylneuraminate
N-Acetylneuraminic acid
ME324366
439197
C00270
660
310.11326
fluoxetine
Fluoxetine
ME324143
3386
D00326
1025
310.14133
3-(N-acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME323830
83967
-
2094
311.07072
desmethylcitalopram*
N-Desmethylcitalopram
ME324083
162180
C16608
880
311.15542
octadecenedioate (C18:1-DC)*
-
ME324434
-
-
4875
311.22279
arachidate (20:0)
Arachidic acid
ME323984
10467
C06425
6240
311.29555
glycochenodeoxycholate glucuronide (1)
Glycochenodeoxycholic acid 3-glucuronide
ME324199
-
-
4806
311.66583
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME324404
92919
-
2210
312.13025
N-palmitoylglycine
N-Palmitoyl glycine
ME324396
151008
-
5580
312.25441
12,13-DiHOME
12,13-DiHOME
ME323767
10236635
C14829
5137
313.23843
octadecanedioate (C18-DC)
Octadecanedioic acid
ME324432
70095
-
5043
313.23843
3-decenoylcarnitine
CAR 10:1
ME323837
-
-
1045
314.23259
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME324050
-
-
1057
314.23259
febuxostat
-
ME324138
134018
D01206
4748
315.08088
heneicosapentaenoate (21:5n3)
6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid
ME324224
11998573
-
5514
315.23295
decanoylcarnitine (C10)
CAR 10:0
ME324077
10245190
-
1130
316.24824
indoleacetoylcarnitine*
-
ME324259
-
-
3114
319.16524
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME324003
72715786
C20775
530
320.06232
linoleoyl ethanolamide
Linoleoyl-EA
ME324295
5283446
-
6150
322.27515
7-hydroxywarfarin
-
ME323944
-
-
3300
323.09249
oleoyl ethanolamide
Oleoyl-EA
ME324438
5283454
-
6450
324.2908
10-hydroxywarfarin
-
ME323763
-
-
3602
325.10705
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME323918
-
-
2755
325.16055
escitalopram
Escitalopram
ME324132
146570
D07913
908
325.17107
quinine
Quinine
ME324518
2728270
-
3378
325.19106
4-acetamidophenylglucuronide
p-Acetamidophenylglucuronide
ME323888
83944
-
1400
326.08814
docosahexaenoate (DHA; 22:6n3)
DHA
ME324105
445580
C06429
5525
327.23295
undecenoylcarnitine (C11:1)
CAR 11:1
ME324623
-
-
1069
328.24824
furosemide
Furosemide
ME324148
3440
D00331
3515
329.00044
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME324107
6441454
C16513
5571
329.2486
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME324108
6441454
C16513
5624.5
329.2486
adrenate (22:4n6)
Adrenic acid
ME323959
5497181
C16527
5678
331.26425
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME324166
3989307
-
1960
332.12519
3-hydroxydecanoylcarnitine
CAR 10:0;3OH
ME323848
-
-
961
332.24315
docosatrienoate (22:3n6)*
10Z,13Z,16Z-Docosatrienoic acid
ME324111
-
-
5850
333.27989
docosatrienoate (22:3n3)
13,16,19-Docosatrienoic acid
ME324110
5312556
C16534
5823
333.2799
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME324190
167572
-
516
335.07378
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME324103
5282807
C16533
6034
335.29555
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME324359
123826
C04540
1212
336.14015
erucate (22:1n9)
cis-Erucic acid
ME324129
5281116
C08316
6355.6
337.3112
eicosenedioate (C20:1-DC)*
-
ME324122
-
-
5095
339.25407
maltose
Maltose
ME324312
10991489
C00208
765
341.10894
sucrose
Sucrose
ME324582
5988
C00089
865
341.10894
citalopram N-oxide*
-
ME324052
10068142
C16607
905
341.16599
eicosanedioate (C20-DC)
Eicosanedioic acid
ME324119
75502
-
5200.9
341.26973
5-dodecenoylcarnitine (C12:1)
CAR 12:1(5)
ME323922
-
-
1135
342.26389
palmitoylcholine
Palmitoylcholine
ME324474
151731
-
1482
342.33666
14-HDoHE/17-HDoHE
-
ME323769
-
-
5296
343.22786
omeprazole
Omeprazole
ME324448
4594
C07324
4673
344.10743
3-(3-amino-3-carboxypropyl)uridine*
3-(3-amino-3-carboxypropyl)uridine
ME323824
171198
-
1369
344.10993
laurylcarnitine (C12)
CAR 12:0
ME324286
10427569
-
1235
344.27954
glucuronide of C10H18O2 (7)*
-
ME324174
-
-
3790
345.1555
glucuronide of C10H18O2 (8)*
-
ME324175
-
-
3865
345.1555
adenosine 5'-monophosphate (AMP)
AMP
ME323957
6083
C00020
1013
348.07037
inosine 5'-monophosphate (IMP)
IMP
ME324266
8582
C00130
650
349.05438
enalaprilat*
-
ME324126
5462501
C11720
3149
349.1758
sulfate of piperine metabolite C16H19NO3 (2)*
-
ME324583
-
-
4112
352.08601
sulfate of piperine metabolite C16H19NO3 (3)*
-
ME324584
-
-
4200
352.08601
cys-gly, oxidized
CYS-GLY, oxidized
ME324065
333293
-
2947
355.07406
nisinate (24:6n3)
THA
ME324421
11792612
-
5657
355.26425
2-methoxyacetaminophen glucuronide*
2-Methoxyacetaminophen glucuronide
ME323807
14367271
-
1633
356.0987
cortisone
Cortisone
ME324059
222786
C00762
4575
359.18639
cortisol
Cortisol
ME324058
5754
C00735
4710
361.20204
C-glycosyltryptophan
C-Glycosyltryptophan
ME324020
10981970
-
1777
365.13542
nervonate (24:1n9)*
Nervonic acid
ME324418
5281120
C08323
6804
365.3425
linoleoylcholine*
alpha-Linoleoylcholine
ME324304
-
-
1388
366.33666
3-hydroxycotinine glucuronide
trans-3-Hydroxycotinine glucuronide
ME323846
183115
-
1745
367.11469
dehydroepiandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME324078
12594
C04555
4745
367.15846
N-oleoylserine
NA-Ser 18:1(9Z)
ME324389
-
-
5600
368.28063
oleoylcholine
Oleoylcholine
ME324447
-
-
1449
368.35231
androstenediol (3alpha, 17alpha) monosulfate (2)
-
ME323972
-
-
4712
369.17411
androstenediol (3alpha, 17alpha) monosulfate (3)
-
ME323973
-
-
5180
369.17411
androstenediol (3beta,17beta) monosulfate (1)
-
ME323976
13847309
-
4535
369.17411
androstenediol (3beta,17beta) monosulfate (2)
-
ME323977
-
-
4500
369.17411
androsterone sulfate
5alpha-Androstane-3alpha-ol-17-one sulfate
ME323979
159663
-
5022
369.17411
epiandrosterone sulfate
Epiandrosterone
ME324127
9929317
-
4855
369.17411
docosadioate (C22-DC)
Docosanedioic acid
ME324104
244872
C19625
5291.8
369.30103
cholesterol
Cholesterol
ME324045
11025495
C00187
2707
369.35159
salicyluric glucuronide*
Salicyluric glucuronide
ME324531
-
-
1463
370.07797
dexlansoprazole
Dexlansoprazole
ME324086
9578005
D08903
827
370.08316
carnitine of C10H14O2 (5)*
-
ME324030
-
-
4521
370.18711
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME324334
90659872
-
1316
370.29471
stearoylcholine*
Stearoylcholine
ME324576
-
-
1520
370.36797
5alpha-androstan-3alpha,17beta-diol monosulfate (1...
-
ME323932
-
-
4925
371.18976
5alpha-androstan-3alpha,17beta-diol monosulfate (2...
-
ME323933
-
-
5080
371.18976
5alpha-androstan-3beta,17beta-diol monosulfate (2)
-
ME323936
-
-
4685
371.18976
myristoylcarnitine (C14)
CAR 14:0
ME324338
6426854
-
1350
372.31084
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME323884
92997
-
5205
373.27482
enalapril
Enalapril
ME324125
3222
-
900
377.2071
sulfate of piperine metabolite C18H21NO3 (1)*
-
ME324585
-
-
4481
378.10167
sulfate of piperine metabolite C18H21NO3 (3)*
-
ME324586
-
-
4630
378.10167
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME324568
5283560
C06124
1375
380.25604
ibuprofen acyl glucuronide
-
ME324253
163959
-
4976
381.15549
2-hydroxynervonate*
Hydroxynervonic acid
ME323798
5312783
-
6345
381.33742
pantoprazole
Pantoprazole
ME324476
4679
C11806
4398
382.06785
N6-succinyladenosine
Succinyladenosine
ME324416
165243
-
940
382.10043
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME324541
520
-
1431
382.27169
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME324526
439155
C00021
1832.4
383.11431
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME323771
-
-
4240
383.15338
andro steroid monosulfate C19H28O6S (1)*
Dehydroepiandrosterone sulfate
ME323971
-
C04555
3871
383.1534
campesterol
Campesterol
ME324023
173183
C01789
2873
383.36724
4-cholesten-3-one
Cholestenone
ME323894
91477
C00599
2520
385.3465
N-oleoyltaurine
N-Oleoyl taurine
ME324390
6437033
-
5610
388.2527
eicosapentaenoylcholine
-
ME324121
-
-
1343
388.32101
cetirizine
Cetirizine
ME324041
2678
C07778
1052
389.16265
N-stearoyltaurine
N-Stearoyl taurine
ME324400
168274
-
5782
390.26835
arachidonoylcholine
Arachidonoylcholine
ME323987
-
-
1390
390.33666
chenodeoxycholate
Chenodeoxycholic acid
ME324042
10133
C02528
5264
391.28538
deoxycholate
Deoxycholic acid
ME324080
222528
C04483
5294
391.28538
isoursodeoxycholate
Isoursodeoxycholic acid
ME324273
127601
C17662
4809
391.28538
ursodeoxycholate
Ursodeoxycholic acid
ME324628
31401
C07880
5055
391.28538
dihomo-linolenoyl-choline
-
ME324093
-
-
1424
392.35231
pregnenolone sulfate
Pregnenolone sulfate
ME324505
105074
-
5100
395.18976
pregnenediol sulfate (C21H34O5S)*
Pregnenolone sulfate
ME324502
-
-
5000
397.20541
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME324462
71464547
-
1357
398.32649
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
-
ME323938
-
-
5060
399.22106
5alpha-pregnan-3beta,20beta-diol monosulfate (1)
-
ME323939
-
-
5180
399.22106
palmitoylcarnitine (C16)
CAR 16:0
ME324473
461
C02990
1425
400.34214
cholate
Cholic acid
ME324044
221493
C00695
5165
407.28029
hyocholate
Hyocholic acid
ME324249
92805
C17649
5046
407.28029
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME323738
6419701
C04036
5600
409.23606
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME324413
161466
-
2164
411.12698
perfluorooctanoate (PFOA)
Perfluorooctanoic acid
ME324482
9554
-
685
412.96642
pregnenetriol sulfate*
-
ME324504
-
-
4749
413.20033
docosahexaenoylcholine
-
ME324106
-
-
1378
414.33666
margaroylcarnitine (C17)*
CAR 17:0
ME324318
-
-
1424
414.35779
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME323885
165511
C17333
5398
415.32177
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME324169
-
-
2384
416.36427
linolenoylcarnitine (C18:3)*
CAR 18:3
ME324294
-
-
1310
422.32649
linoleoylcarnitine (C18:2)*
CAR 18:2
ME324303
6450015
-
1430
424.34214
N,O-didesmethylvenlafaxine glucuronide
-
ME324343
-
-
2902
426.21225
O-desmethyltramadol glucuronide
-
ME324428
-
-
2741
426.21225
oleoylcarnitine (C18:1)
CAR 18:1
ME324446
6441392
-
1423
426.35779
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME324070
4247235
-
2465
427.09519
metabolonic lactone sulfate
-
ME324319
-
-
4802
427.21598
stearoylcarnitine (C18)
CAR 18:0
ME324575
6426855
-
1485
428.37344
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME323943
3081085
C17337
5288.1
429.30103
alpha-tocopherol
alpha-Tocopherol
ME323970
14985
C02477
2522
430.37818
glycolithocholate
Glycolithocholic acid
ME324204
115245
C15557
5357.1
432.31193
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME323697
-
-
5483
433.23606
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME323678
-
-
1558
438.2979
gamma-CEHC glucuronide*
-
ME324151
-
-
2500
439.16097
3-hydroxyoleoylcarnitine
CAR 18:1(9Z);3OH
ME323859
-
-
1406
442.3527
tetrahydrocortisol sulfate (1)
-
ME324601
-
-
4276
445.19016
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME324197
12544
C05466
5236.1
448.30684
glycodeoxycholate
Glycodeoxycholic acid
ME324202
3035026
C05464
5281
448.30684
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME324215
12310288
-
5033
448.30684
arachidonoylcarnitine (C20:4)
CAR 20:4
ME323986
-
-
1353
448.34215
dihomo-linolenoylcarnitine (C20:3n3 or 6)*
CAR 20:3
ME324094
-
-
1392
450.35777
dihomo-linoleoylcarnitine (C20:2)*
CAR 20:2
ME324095
-
-
1436
452.37343
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME323740
9547069
-
1544
454.29282
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME324124
-
-
1484
454.38909
verapamil
Verapamil
ME324635
2520
D02356
945
455.29044
octadecenedioylcarnitine (C18:1-DC)*
CAR DC18:1
ME324435
-
-
1180
456.33197
arachidoylcarnitine (C20)*
CAR 20:0
ME323988
-
-
1512
456.40474
octadecanedioylcarnitine (C18-DC)*
CAR DC18:0
ME324433
-
-
1227
458.34762
glucuronide of piperine metabolite C17H21NO3 (3)*
-
ME324176
-
-
3951
462.17696
glucuronide of piperine metabolite C17H21NO3 (4)*
-
ME324177
-
-
3992
462.17696
glucuronide of piperine metabolite C17H21NO3 (5)*
-
ME324178
-
-
4039
462.17696
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME323668
-
-
6250
462.29899
glyco-beta-muricholate**
Gly-betaMCA
ME324196
-
-
4762
464.30176
glycocholate
Glycocholic acid
ME324200
10140
C01921
5163
464.30176
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME323682
-
-
6500
464.31464
androsterone glucuronide
Androsterone 3-glucuronide
ME323978
114833
C11135
4953
465.24939
etiocholanolone glucuronide
Androsterone 3-glucuronide
ME324136
270605
-
4915
465.24939
sitagliptin
Sitagliptin
ME324537
11306691
-
4485
468.11119
glycyrrhetinate
Glycyrrhetinic acid
ME324217
18526330
C02283
1494
471.34689
docosapentaenoylcarnitine (C22:5n3)*
CAR 22:5
ME324109
-
-
1387
474.35777
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME323699
52925130
-
1482
478.29282
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME323716
9547071
-
1554
480.30847
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME323816
-
-
6350
480.30956
11beta-hydroxyandrosterone glucuronide
-
ME323766
-
-
4209
481.2443
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME323758
9547068
-
1626
482.32412
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME323741
3300276
-
5570
483.27284
behenoylcarnitine (C22)*
CAR 22:0
ME323999
-
-
1561
484.43604
1-palmitoleoyl-GPC (16:1)*
LPC 16:1/0:0
ME323721
24779461
-
1450
494.32412
pregnanediol-3-glucuronide
Pregnanediol-3-glucuronide
ME324500
123796
-
5145
495.29634
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME323739
86554
-
1525
496.33977
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME324591
387316
C05465
5250
498.28948
taurodeoxycholate
Taurodeoxycholic acid
ME324595
2733768
C05463
5257.4
498.28948
perfluorooctanesulfonate (PFOS)
Perfluorooctanesulfonic acid
ME324481
74483
C18142
662
498.93021
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME323684
42607465
-
1470
502.29282
fexofenadine
Fexofenadine
ME324140
3348
C06999
944
502.29519
maltotriose
Maltotriose
ME324313
439586
C01835
812
503.16175
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME323700
-
-
5516
507.27284
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME323717
-
-
5610
509.28849
nervonoylcarnitine (C24:1)*
CAR 24:1
ME324419
-
-
1602
510.45168
ceramide (d18:1/14:0, d16:1/16:0)*
Cer 36:1;O2
ME324036
-
-
2477
510.48808
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME323759
-
-
5816
511.30414
lignoceroylcarnitine (C24)*
CAR 24:0
ME324291
-
-
1603
512.46733
taurocholate
Taurocholic acid
ME324593
6675
C05122
5150
514.28439
1-linolenoyl-GPC (18:3)*
LPC 18:3
ME323694
-
-
1410
518.32412
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME323698
11988421
C04100
1465
520.33977
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME323715
16081932
-
1540
522.35542
1-oleoyl-GPS (18:1)
LPS 18:1/0:0
ME323719
9547099
-
1555
524.2983
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME323761
9547101
-
5800
524.29939
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME323757
497299
-
1606
524.37107
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*
Cer 17:1;O2/16:0
ME324392
-
-
2645
524.50374
N-palmitoyl-sphingadienine (d18:2/16:0)*
Cer 18:2;O2/16:0
ME324393
-
-
2490
536.50372
ximenoylcarnitine (C26:1)*
CAR 26:1
ME324639
-
-
1607
538.48299
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME324395
5283564
-
2893
538.51937
cerotoylcarnitine (C26)*
CAR 26:0
ME324040
-
-
1649
540.49864
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME324394
5283572
-
3090
540.53503
cortolone glucuronide (1)
-
ME324060
-
-
4600
541.26543
beta-cryptoxanthin
Cryptoxanthin
ME324004
6384256
-
2560
552.43257
ceramide (d18:1/17:0, d17:1/18:0)*
Cer 35:1;O2
ME324037
-
-
3055
552.53505
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME323677
10917802
-
6450
554.34633
adenosine 5'-diphosphoribose (ADP-ribose)
ADP-ribose
ME323956
192
C00301
920
558.06439
N-stearoyl-sphingadienine (d18:2/18:0)*
Cer 18:2;O2/18:0
ME324397
-
-
2846
564.53503
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME324399
5283565
-
3392
566.55067
deoxycholic acid glucuronide
-
ME324082
-
-
4800
567.31747
2-palmitoleoyl-GPC (16:1)*
LPC 0:0/16:1
ME323813
-
-
5720
568.3256
carotene diol (1)
Carotene diol
ME324031
-
-
1720
568.42759
carotene diol (3)
Carotene diol
ME324033
-
-
1948
568.42786
carotene diol (2)
Carotene diol
ME324032
-
-
1904
568.42793
N-stearoyl-sphinganine (d18:0/18:0)*
Cer 18:0;O2/18:0
ME324398
5283573
-
3526
568.56632
2-palmitoyl-GPC (16:0)*
LPC 0:0/16:0
ME323814
15061532
-
6215
570.34125
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME323742
-
-
5564
571.28888
myristoyl-linoleoyl-glycerol (14:0/18:2) [1]*
DG 14:0_18:2
ME324336
-
-
2679
582.50921
myristoyl-linoleoyl-glycerol (14:0/18:2) [2]*
DG 14:0_18:2
ME324337
-
-
2720
582.50921
biliverdin
Biliverdin
ME324011
5353439
C00500
1016
583.25512
diacylglycerol (14:0/18:1, 16:0/16:1) [1]*
DG 32:1
ME324087
-
-
3057
584.52486
diacylglycerol (14:0/18:1, 16:0/16:1) [2]*
DG 32:1
ME324088
-
-
3183
584.52486
bilirubin (E,E)*
Bilirubin
ME324008
5315454
-
1045
585.27076
bilirubin (E,Z or Z,E)*
Bilirubin
ME324009
5799469
-
1265
585.27076
bilirubin (Z,Z)
Bilirubin
ME324010
5280352
C00486
1840
585.27076
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*
Cer 38:1;O2
ME324038
-
-
3920
594.58199
1-linoleoyl-GPI (18:2)*
LPI 18:2/0:0
ME323701
-
-
5494
595.28888
L-urobilin
L-Urobilin
ME324279
5280818
C05793
901
595.34902
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME323718
-
-
5599
597.30453
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME323760
-
-
5794
599.32018
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*
DG 34:3
ME324089
-
-
2733
608.52486
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*
DG 16:1_18:2
ME324459
-
-
2664
608.52486
palmitoleoyl-oleoyl-glycerol (16:1/18:1) [1]*
DG 16:1_18:1
ME324460
9543694
-
3035
610.54051
palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]*
DG 16:1_18:1
ME324461
-
-
3154
610.54051
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*
DG 16:0_18:2
ME324468
9543695
-
3080
610.54051
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*
DG 16:0_18:2
ME324469
-
-
3197
610.54051
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*
DG 16:0_18:1
ME324470
-
C13861
3562
612.55616
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*
DG 16:0_18:1
ME324471
-
C13861
3695
612.55616
heme
Heme
ME324223
26945
C00032
1124
616.1762
1-arachidonoyl-GPC (20:4n6)*
LPC 20:4/0:0
ME323683
-
C05208
6074
618.34125
1-arachidonoyl-GPI (20:4)*
LPI 20:4/0:0
ME323685
-
-
5482
619.28888
ceramide (d16:1/24:1, d18:1/22:1)*
Cer 40:2;O2
ME324035
-
-
3850
620.59763
N-behenoyl-sphingadienine (d18:2/22:0)*
Cer 18:2;O2/22:0
ME324376
-
-
3911
620.59763
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*
DG 18:2_18:3
ME324299
-
-
2426
632.52486
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*
DG 18:2_18:3
ME324300
-
-
2478
632.52486
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]...
DG 16:1_20:4
ME324458
-
-
2528
632.52486
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME324301
-
-
2720
634.54051
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*
DG 18:2_18:2
ME324302
-
-
2790
634.54051
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*
DG 18:1_18:3
ME324441
-
-
2819
634.54051
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*
DG 16:0_20:4
ME324465
-
-
2916
634.54051
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*
DG 16:0_20:4
ME324466
-
-
3015
634.54051
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME324442
-
-
3115
636.55616
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME324443
-
-
3223
636.55616
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*
DG 18:1_18:1
ME324444
-
-
3571
638.57181
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*
DG 18:1_18:1
ME324445
-
-
3695
638.57181
ceramide (d18:2/24:1, d18:1/24:2)*
Cer 42:3;O2
ME324039
-
-
3858
646.6133
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*
DG 18:2_20:4
ME324296
-
-
2590
658.54051
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*
DG 18:2_20:4
ME324297
-
-
2650
658.54051
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]...
DG 16:0_22:6
ME324467
-
-
2749
658.54051
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*
DG 18:1_20:4
ME324439
-
-
2907
660.55616
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*
DG 18:1_20:4
ME324440
-
-
2990
660.55616
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...
EPC 18:1;O2/16:0
ME324472
-
-
2207
661.5279
sphingomyelin (d17:1/14:0, d16:1/15:0)*
SM 31:1;O2
ME324542
-
-
1950
661.52791
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*
DG 18:0_20:4
ME324573
-
-
3404
662.57181
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*
DG 18:0_20:4
ME324574
-
-
3522
662.57181
sphingomyelin (d18:2/14:0, d18:1/14:1)*
SM 32:2;O2
ME324559
-
-
1860
673.5279
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME324547
11433862
-
1998
675.54355
myristoyl dihydrosphingomyelin (d18:0/14:0)*
SM 18:0;O2/14:0
ME324335
-
-
2060
677.5592
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]...
DG 18:2_22:6
ME324298
-
-
2450
682.54051
sphingomyelin (d17:2/16:0, d18:2/15:0)*
SM 33:2;O2
ME324544
-
-
1837
687.54355
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...
SM 33:1;O2
ME324543
-
-
2082
689.5592
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...
PE P-16:0/18:2 or PE O-16:1/18:2
ME323672
-
-
2351
700.52757
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME324212
-
-
2623
700.5722
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME324560
-
-
2002
701.5592
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*
PE P-16:0/18:1 or PE O-16:1/18:1
ME323674
-
-
2600
702.54322
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME324464
9939941
-
2168
703.57485
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME324463
9939965
-
2290
705.5905
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME323710
129657
-
2147
706.53813
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME323730
9546747
-
2275
716.52248
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...
PC P-16:0/16:1 or PC O-16:1/16:1
ME323675
-
-
2218
716.55887
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME324548
-
-
2312
717.5905
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME323733
5283496
-
2509
718.53813
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...
PC P-16:0/16:0 or PC O-16:1/16:0
ME323676
11146967
-
2454
718.57452
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**
SM 18:1;O2/24:0
ME324248
-
-
2056
719.56978
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*
PE 16:0/18:0
ME323737
5326793
-
2850
720.55378
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME323670
-
-
2270
724.52757
sphingomyelin (d18:2/18:1)*
SM 18:2;O2/18:1
ME324561
-
-
1904
727.57485
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*
PE P-18:0/18:2 or PE O-18:1/18:2
ME323680
-
-
2633
728.55887
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
HexCer 18:1;O2/18:0
ME324213
-
-
3053
728.6035
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME324549
6443882
-
2167
729.5905
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)
PE P-18:0/18:1 or PE O-18:1/18:1
ME323681
-
-
2950
730.57452
Fibrinopeptide A, des-ala(1)*
-
ME324141
-
-
2535
731.31677
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME324572
6453725
C00550
2400
731.60615
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME323735
-
-
2160
732.55378
sphingomyelin (d18:0/18:0, d19:0/17:0)*
SM 36:0;O2
ME324545
-
-
2362
733.6218
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME323663
452110
-
2365
734.56944
1,2-dilinoleoyl-GPE (18:2/18:2)*
PE 18:2/18:2
ME323662
9546812
-
2083
740.52248
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME323724
9546800
-
2198
740.52248
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*
PE 18:1/18:2
ME323714
9546753
-
2270
742.53813
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...
PC P-16:0/18:2 or PC O-16:1/18:2
ME323671
-
-
2226
742.57452
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME323751
9546749
-
2522
744.55378
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*
PC P-16:0/18:1 or PC O-16:1/18:1
ME323673
-
-
2443
744.59017
sphingomyelin (d18:1/19:0, d19:1/18:0)*
SM 37:1;O2
ME324550
-
-
2330
745.62178
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME323754
-
-
2858
746.56944
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME323679
9547058
-
2511
752.55887
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*
PC 14:0/20:4
ME323709
-
-
1914
754.53813
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)...
SM 18:1;O2/20:2
ME324553
-
-
2039
755.60615
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*
HexCer 38:1;O2
ME324207
-
-
3414
756.6348
sphingomyelin (d18:1/20:1, d18:2/20:0)*
SM 38:2;O2
ME324552
-
-
2383
757.6218
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME323729
5287971
-
2160
758.56944
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME324551
-
-
2685
759.6375
glycine
Glycine
ME324193
750
C00037
1375
76.03931
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME323732
6436017
-
2358
760.58509
trimethylamine N-oxide
Trimethylamine N-oxide
ME324616
1145
C01104
2100
76.07569
sphingomyelin (d18:0/20:0, d16:0/22:0)*
SM 38:0;O2
ME324546
-
-
2600
761.65311
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME323736
-
-
2653
762.60074
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*
PE 16:0/22:6
ME323728
9546799
-
2119
764.52248
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*
PE 18:1/20:4
ME323711
-
-
2200
766.53813
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME323669
-
-
2154
766.57452
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME323745
5289133
-
2424
768.55378
sphingomyelin (d18:2/21:0, d16:2/23:0)*
SM 39:2;O2
ME324562
-
-
2330
771.63748
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...
SM 39:1;O2
ME324554
-
-
2793
773.65311
thyroxine
Thyroxine
ME324608
5819
C01829
4808
775.67944
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*
PC 18:2/18:3
ME323696
-
-
1939
780.55378
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME323661
5288075
-
2006
782.56944
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME323723
10747814
-
2091
782.56944
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*
HexCer 40:2;O2
ME324206
-
-
3373
782.65045
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*
HexCer 18:2;O2/22:0
ME324211
-
-
3420
782.65045
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...
SM 40:3;O2
ME324556
-
-
2209
783.63746
flavin adenine dinucleotide (FAD)
FAD
ME324142
643975
C00016
2425
784.14985
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...
-
ME323726
-
-
2199
784.58509
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...
SM 40:2;O2
ME324555
-
-
2666
785.65311
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME323750
-
-
2380
786.60074
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME323998
-
-
3083
787.66876
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME323753
-
-
2644
788.61639
behenoyl dihydrosphingomyelin (d18:0/22:0)*
SM 18:0;O2/22:0
ME323997
-
-
3150
789.68441
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*
PE 18:1/22:6
ME323713
-
-
2119
790.53813
1-stearoyl-2-oleoyl-GPS (18:0/18:1)
PS 18:0/18:1
ME323756
9547087
-
3000
790.55926
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*
PE 18:0/22:6
ME323749
9546798
-
2317
792.55378
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*
HexCer 41:2;O2
ME324208
-
-
3667
796.66609
glycosyl-N-tricosanoyl-sphingadienine (d18:2/23:0)...
HexCer 18:2;O2/23:0
ME324214
-
-
3724
796.6661
sphingomyelin (d18:2/23:1)*
SM 18:2;O2/23:1
ME324564
-
-
2315
797.65308
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...
SM 41:2;O2
ME324563
-
-
2845
799.66868
tricosanoyl sphingomyelin (d18:1/23:0)*
SM 18:1;O2/23:0
ME324613
-
-
3200
801.68441
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME323727
6441886
-
2023
806.56944
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*
HexCer 42:3;O2
ME324209
-
-
3380
808.66609
sphingomyelin (d18:2/24:2)*
SM 18:2;O2/24:2
ME324566
-
-
2215
809.65308
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME323744
16219824
-
2300
810.60074
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME324565
-
-
2635
811.66868
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)
PS 18:0/20:4
ME323747
-
-
2565
812.54361
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME324557
-
-
3033
813.68441
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME324290
-
-
3437
815.70006
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...
HexCer 18:1;O2/24:1;O
ME324210
-
-
3839
826.67665
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...
SM 43:1;O2
ME324558
-
-
3500
829.71571
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*
PC 18:1/22:6
ME323712
-
-
2011
832.58509
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME323748
-
-
2197
834.60128
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)
PI 16:0/18:2
ME323731
-
-
2730
852.55966
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*
PI 16:0/18:1
ME323734
-
-
3140
854.57531
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)
LacCer 18:1;O2/16:0
ME324283
-
-
2527
862.62502
pyruvate
Pyruvic acid
ME324516
1060
C00022
1083
87.00877
butyrate (4:0)
Butyric acid
ME324017
264
C00246
1062
87.04515
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*
PI 16:0/20:4
ME323725
-
-
2567
876.55966
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)
PI 18:0/18:2
ME323752
-
-
3185
880.59096
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*
PI 18:0/18:1
ME323755
-
-
3711
882.60661
oxalate (ethanedioate)
Oxalic acid
ME324452
971
C00209
603
88.98803
lactate
Lactic acid
ME324280
612
C00186
1468.8
89.02442
alanine
Alanine
ME323960
5950
C00041
1700
90.05496
beta-alanine
beta-Alanine
ME324002
239
C00099
1905
90.05496
sarcosine
Sarcosine
ME324532
1088
C00213
1280
90.05496
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME323746
-
-
3000
904.59096
glycerol
Glycerol
ME324187
753
C00116
758
91.04007
phenylacetate
Phenyl acetate
ME324484
999
C07086
2150
91.05535
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*
LacCer 18:1;O2/22:0
ME324281
-
-
3842
946.71892
dimethyl sulfone
Dimethyl sulfone
ME324099
6213
C11142
832
95.01613
sulfate*
Sulfate
ME324587
1118
C00059
616
96.9601
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*
LacCer 18:1;O2/24:1
ME324282
-
-
3778
972.73457
phosphate
Phosphoric acid
ME324492
1061
C00009
576
98.98418
3-methylglutaconate
3E-Methylglutaconic acid
ME323877
1551553
-
2700
99.04518
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