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Return to study ST002017 main page
Analysis: None (Direct infusion) UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
betonicine
Betonicine
ME466034
164642
C08269
1012
-
adenosine 5'-monophosphate (AMP)
AMP
ME466003
6083
C00020
1013
-
biliverdin
Biliverdin
ME466038
5353439
C00500
1016
-
3-methylurate*
3-Methyluric acid
ME465920
11804
-
1024
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME466031
69362
-
1027
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME466310
5255
C12270
1035
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME465839
677
C04039
1050
-
N-acetylglutamate
N-Acetylglutamic acid
ME466317
70914
C00624
1050
-
Cetirizine
Cetirizine
ME466054
2678
C07778,D07662
1052
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME466062
-
-
1057
-
N6-acetyllysine
N6-Acetyllysine
ME466299
92832
C02727
1059
-
acetoacetate
Acetoacetic acid
ME465981
96
C00164
1062
-
betaine
Betaine
ME466032
247
C00719
1064
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME466210
5810
C01157
1064
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME466276
-
-
1070
-
xanthosine
Xanthosine
ME466547
64959
C01762
1075
-
uracil
Uracil
ME466533
1174
C00106
1089.7
-
1-methylurate
1-Methyluric acid
ME465797
69726
C16359
1099
-
pseudouridine
Pseudouridine
ME466429
15047
C02067
1100
-
dimethylglycine
Dimethylglycine
ME466098
673
C01026
1104
-
heme
Heme
ME466197
26945
C00032
1124
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME465999
99823
-
1126
-
decanoylcarnitine (C10)
CAR 10:0
ME466083
10245190
-
1130
-
7-methylurate
7-Methyluric acid
ME465976
69160
-
1138
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME465937
439902
C03079
1141
-
aspartate
Aspartic acid
ME466023
5960
C00049
1165
-
piperine
Piperine
ME466416
638024
C03882
1168
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME466316
123826
C04540
1212
-
asparagine
Asparagine
ME466022
6267
C00152
1225
-
ferulic acid 4-sulfate
Ferulic acid 4-sulfate
ME466132
6305574
-
1225
-
laurylcarnitine (C12)
CAR 12:0
ME466241
10427569
-
1235
-
N-acetylcarnosine
N-Acetylcarnosine
ME466313
9903482
-
1235
-
serine
Serine
ME466452
5951
C00065
1239
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME466155
94340
-
1240
-
3-hydroxyproline
cis-3-Hydroxyproline
ME465903
559314
C05147
1243
-
methionine sulfone
Methionine sulfone
ME466274
69961
-
1250
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME466291
69698
C05842
1250
-
thioproline
Thioproline
ME466517
-
-
1250
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME465851
-
-
1258
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME466292
440810
C05843
1260
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME465964
170748
-
1267
-
bilirubin (E,Z or Z,E)*
Bilirubin
ME466037
5799469
-
1270
-
methionine sulfoxide
Methionine sulfoxide
ME466275
158980
C02989
1272
-
azelate (nonanedioate)
Azelaic acid
ME466024
2266
C08261
1276
-
sarcosine
Sarcosine
ME466450
1088
C00213
1280
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME465905
3017884
-
1282
-
glutamine
Glutamine
ME466164
5961
C00064
1291
-
hypoxanthine
Hypoxanthine
ME466213
790
C00262
1291.2
-
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME465878
187488
-
1294
-
caffeic acid sulfate
-
ME466040
-
-
1307
-
linolenoylcarnitine (C18:3)*
CAR 18:3
ME466249
-
-
1310
-
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME466295
10398396
-
1310
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME466285
-
-
1316
-
cytidine
Cytidine
ME466079
6175
C00475
1325
-
N-methylproline
N-Methyl-proline
ME466346
557
-
1335
-
N-acetylalliin
N-Acetylalliin
ME466307
-
-
1348
-
docosahexaenoylcarnitine (C22:6)*
CAR 22:6
ME466102
-
-
1349
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME465925
18189
C02946
1350
-
7-methylxanthine
7-Methylxanthine
ME465977
68374
C16353
1350
-
myristoylcarnitine (C14)
CAR 14:0
ME466287
53477791
-
1350
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME466017
-
-
1353
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME466383
-
-
1357
-
glycine
Glycine
ME466174
750
C00037
1375
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME466486
5283560
C06124
1375
-
cotinine N-oxide
Cotinine N-oxide
ME466069
9815514
-
1377
-
docosahexaenoylcholine
-
ME466103
-
-
1378
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME465879
9378
C03672
1379
-
docosapentaenoylcarnitine (C22:5n3)*
CAR 22:5
ME466106
-
-
1387
-
linoleoylcholine*
alpha-Linoleoylcholine
ME466254
-
-
1388
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME466526
5570
C01004
1388
-
arachidonoylcholine
Arachidonoylcholine
ME466018
-
-
1390
-
dihomo-linolenoylcarnitine (20:3n3 or 6)*
CAR 20:3
ME466091
-
-
1392
-
sphingosine
Sphingosine
ME466485
5353955
C00319
1393
-
hydroquinone sulfate
Quinol sulfate
ME466208
161220
C00530
1395
-
4-acetamidophenylglucuronide
p-Acetamidophenylglucuronide
ME465927
83944
-
1400
-
sphinganine
Sphinganine
ME466458
3126
C00836
1413
-
adrenoylcarnitine (C22:4)*
CAR 22:4
ME465991
-
-
1415
-
3,7-dimethylurate
3,7-Dimethyluric acid
ME465884
83126
C16360
1418.2
-
1-linolenoyl-GPE (18:3)*
-
ME465784
-
-
1420
-
isobutyrylglycine
Isobutyrylglycine
ME466227
10855600
-
1420
-
1-linolenoyl-GPC (18:3)*
LPC 18:3
ME465783
-
-
1422
-
oleoylcarnitine (C18:1)
CAR 18:1
ME466366
-
-
1423
-
5-acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME465949
108214
C16365
1424
-
dihomo-linolenoyl-choline
-
ME466092
-
-
1424
-
margaroylcarnitine*
CAR 17:0
ME466271
-
-
1424
-
2-palmitoleoyl-GPC (16:1)*
LPC 0:0/16:1
ME465873
-
-
1425
-
palmitoylcarnitine (C16)
CAR 16:0
ME466390
461
C02990
1425
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME466146
150914
C05283
1430
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME466253
6450015
-
1430
-
N1-methylinosine
1-Methylinosine
ME466293
65095
-
1430
-
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME466459
520
-
1431
-
dihomo-linoleoylcarnitine (C20:2)*
CAR 20:2
ME466093
-
-
1436
-
stachydrine
Stachydrine
ME466487
115244
C10172
1440
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME465788
-
-
1441
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME465893
441
C01089
1443.3
-
oleoylcholine
Oleoylcholine
ME466367
-
-
1449
-
1-palmitoleoyl-GPC (16:1)*
LPC 16:1/0:0
ME465806
24779461
-
1450
-
1,2,3-benzenetriol sulfate (1)
-
ME465754
-
-
1453
-
uridine
Uridine
ME466536
6029
C00299
1457.6
-
1-arachidonoyl-GPC (20:4n6)*
LPC 20:4/0:0
ME465778
-
C05208
1460
-
salicyluric glucuronide*
Salicyluric glucuronide
ME466448
-
-
1463
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME465789
11988421
C04100
1465
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME465913
49
C00141
1465
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME465779
42607465
-
1470
-
alliin
Alliin
ME465994
87310
C08265
1470
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME465938
151012
-
1475
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME465790
52925130
-
1482
-
palmitoylcholine
Palmitoylcholine
ME466391
151731
-
1482
-
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME466118
-
-
1484
-
stearoylcarnitine (C18)
CAR 18:0
ME466493
6426855
-
1485
-
cysteine
Cysteine
ME466074
5862
C00097
1488
-
erythritol
Erythritol
ME466123
222285
C00503
1491
-
pantothenate
Pantothenic acid
ME466395
6613
C00864
1498.7
-
glutamate
Glutamic acid
ME466162
611
C00025
1500
-
2-palmitoyl-GPC (16:0)*
LPC 0:0/16:0
ME465874
15061532
-
1505
-
valylglycine
Val-Gly
ME466542
136487
-
1506
-
ribose
Ribose
ME466443
5779
C00121
1508.2
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME465965
1826
C05635
1510.2
-
dopamine 4-sulfate
Dopamine 4-sulfate
ME466111
123932
C13691
1511
-
arachidoylcarnitine (C20)*
CAR 20:0
ME466019
-
-
1512
-
threonine
Threonine
ME466519
6288
C00188
1514
-
citrulline
Citrulline
ME466064
9750
C00327
1520
-
stearoylcholine*
Stearoylcholine
ME466494
-
-
1520
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME465820
86554
-
1525
-
N-(2-furoyl)glycine
2-Furoylglycine
ME466288
21863
-
1525.8
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME466444
1196
C04322
1528
-
arachidonoyl ethanolamide
Arachidonoyl-EA
ME466016
5281969
C11695
1535
-
erucoylcarnitine (C22:1)*
CAR 22:1
ME466122
-
-
1535
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME466147
165527
-
1535
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME465801
16081932
-
1540
-
N-formylmethionine
N-Formylmethionine
ME466341
439750
C03145
1543.8
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME465821
9547069
-
1544
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME465748
10917802
-
1547
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME465802
9547071
-
1554
-
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME466110
122136
C13690
1556.2
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME465749
-
-
1558
-
behenoylcarnitine (C22)*
CAR 22:0
ME466027
-
-
1561
-
isovalerate
Isovaleric acid
ME466231
10430
C08262
1564
-
tyramine O-sulfate
Tyramine-O-sulfate
ME466530
153005
-
1565
-
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME465739
-
-
1566
-
1-methylxanthine
1-Methylxanthine
ME465798
80220
C16358
1568.8
-
N-methyltaurine
N-Methyltaurine
ME466347
-
-
1576
-
1,7-dimethylurate
1,7-Dimethyluric acid
ME465763
91611
C16356
1578.6
-
acesulfame
Acesulfame
ME465980
-
-
1581
-
2'-deoxyuridine
Deoxyuridine
ME465848
13712
C00526
1586
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME465904
-
-
1595.5
-
theobromine
Theobromine
ME466515
5429
C07480
1600
-
nervonoylcarnitine (C24:1)*
CAR 24:1
ME466340
-
-
1602
-
inosine
Inosine
ME466224
6021
C00294
1602.1
-
lignoceroylcarnitine (C24)*
CAR 24:0
ME466245
-
-
1603
-
proline
Proline
ME466423
145742
C00148
1603
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME465835
497299
-
1606
-
ximenoylcarnitine (C26:1)*
CAR 26:1
ME466549
-
-
1607
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME465900
87
C06001
1619
-
vanillactate
Vanillactic acid
ME466544
160637
-
1625
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME465836
9547068
-
1626
-
2-methoxyacetaminophen glucuronide*
2-Methoxyacetaminophen glucuronide
ME465863
-
-
1633
-
retinol (Vitamin A)
Retinol
ME466440
445354
C00473
1636
-
5,6-dihydrothymine
Dihydrothymine
ME465947
93556
C00906
1637.8
-
orotate
Orotic acid
ME466375
967
C00295
1638.1
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME465753
-
-
1649
-
cerotoylcarnitine (C26)*
CAR 26:0
ME466053
-
-
1649
-
4-hydroxyphenylacetylglutamine
4-Hydroxyphenylacetylglutamine
ME465939
-
-
1650
-
guanosine
Guanosine
ME466195
6802
C00387
1662
-
retinal
Retinal
ME466439
638015
C00376
1666
-
1,3-dimethylurate
1,3-Dimethyluric acid
ME465761
70346
-
1671.4
-
allantoin
Allantoin
ME465993
204
C02350
1672
-
2-hydroxyacetaminophen sulfate*
2-Hydroxyacetaminophen sulfate
ME465850
-
-
1674
-
2-piperidinone
2-Piperidinone
ME465875
12665
-
1675
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME465846
181670
-
1677
-
N-acetyltyrosine
N-Acetyltyrosine
ME466333
68310
-
1680
-
3-hydroxyhippurate
3-Hydroxyhippuric acid
ME465899
450268
-
1687
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME465940
979
C01179
1690.1
-
3-methylxanthine
3-Methylxanthine
ME465921
70639
C16357
1700
-
alanine
Alanine
ME465992
5950
C00041
1700
-
N-acetylvaline
N-Acetylvaline
ME466334
66789
-
1704
-
indole-3-carboxylic acid
Indole-3-carboxylic acid
ME466218
69867
C19837
1708.8
-
1,2,3-benzenetriol sulfate (2)
-
ME465755
-
-
1709
-
5-acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME465948
88299
C16366
1710
-
valerate
Valeric acid
ME466539
7991
C00803
1718
-
3-methoxytyramine sulfate
3-Methoxytyramine sulfate
ME465910
-
-
1722
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME465898
151492
-
1725
-
lanthionine
Lanthionine
ME466239
-
-
1730
-
3-hydroxycotinine glucuronide
trans-3-Hydroxycotinine glucuronide
ME465896
183115
-
1745
-
benzoate
Benzoic acid
ME466028
243
C00180
1750
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME466153
-
-
1750
-
homostachydrine*
(S)-Homostachydrine
ME466206
441447
C08283
1750
-
2-oxoarginine*
2-Oxoarginine
ME465872
558
C03771
1760
-
7-hydroxyindole sulfate
-
ME465973
-
-
1765
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME466145
92865
C05282
1775
-
5-methyluridine (ribothymidine)
Ribothymidine
ME465968
445408
-
1778.1
-
N-acetylmethionine
N-Acetylmethionine
ME466324
448580
C02712
1787
-
stearoyl ethanolamide
Stearoyl-EA
ME466490
27902
-
1787
-
sebacate (decanedioate)
Sebacic acid
ME466451
5192
C08277
1788
-
ribitol
Ribitol
ME466441
6912
C00474
1789.6
-
4-acetaminophen sulfate
Paracetamol sulfate
ME465928
83939
C06804
1792
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME465849
164623
-
1800
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME466152
111299
-
1825
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME466446
439155
C00021
1832.4
-
sphingomyelin (d17:2/16:0, d18:2/15:0)*
SM 33:2;O2
ME466461
-
-
1837
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME465998
83697
C03264
1840
-
bilirubin (Z,Z)
Bilirubin
ME466035
5280352
C00486
1840
-
O-acetylhomoserine
O-Acetyl-homoserine
ME466357
439389
C01077
1850
-
sphingomyelin (d18:2/14:0, d18:1/14:1)*
SM 32:2;O2
ME466477
-
-
1860
-
theophylline
Theophylline
ME466516
2153
C07130
1870
-
tigloylglycine
Tiglylglycine
ME466522
6441567
-
1886
-
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME465861
161227
-
1900
-
pyroglutamine*
Pyroglutamine
ME466432
134508
-
1900
-
sphingomyelin (d18:2/18:1)*
SM 18:2;O2/18:1
ME466479
-
-
1904
-
beta-alanine
beta-Alanine
ME466029
239
C00099
1905
-
catechol sulfate
Catechol sulfate
ME466049
3083879
C00090
1906
-
1-lignoceroyl-GPC (24:0)
LPC 24:0/0:0
ME465782
-
-
1907
-
homocitrulline
Homocitrulline
ME466205
65072
C02427
1908
-
dihydroorotate
4,5-Dihydroorotic acid
ME466095
648
C00337
1910
-
dihydroferulic acid
Dihydroferulic acid
ME466094
14340
-
1928
-
N-methylpipecolate
N-methyl pipecolic acid
ME466345
-
-
1932
-
arabitol/xylitol
Arabitol
ME466012
-
-
1932.4
-
guanidinoacetate
Guanidoacetic acid
ME466194
763
C00581
1937
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*
PC 18:2/18:3
ME465786
-
-
1939
-
1-methylnicotinamide
1-Methyl nicotinamide
ME465796
10129985
C02918
1940
-
nicotinamide
Niacinamide
ME466343
936
C00153
1942
-
creatine
Creatine
ME466070
586
C00300
1947
-
2-methoxyacetaminophen sulfate*
2-Methoxyacetaminophen sulfate
ME465864
-
-
1949
-
isovalerylglycine
Isovalerylglycine
ME466233
546304
-
1950
-
adenosine 3',5'-cyclic monophosphate (cAMP)
3',5' cyclic AMP
ME465987
6076
C00575
1952.2
-
choline
Choline
ME466060
305
C00114
1961
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*
PC 18:2/20:4
ME465785
-
-
1969
-
carnitine
Carnitine
ME466048
10917
C00318
1978
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME465877
91
C11457
1980
-
ectoine
Ectoine
ME466113
126041
C06231
1980
-
1,3,7-trimethylurate
1,3,7-Trimethyluric acid
ME465760
79437
C16361
1985
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME466142
440103
-
1986
-
N2-methylguanosine
2-Methylguanosine
ME466296
3035422
-
1988
-
isoleucylglycine
Ile-Gly
ME466230
342532
-
1992
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME466464
11433862
-
1998
-
saccharin
Saccharin
ME466445
5143
D01085
1999.7
-
2-methylbutyrylglycine
2-Methylbutyrylglycine
ME465866
193872
-
2000
-
cystine
Cystine
ME466078
67678
C00491
2000
-
N-acetylserine
N-Acetylserine
ME466329
65249
-
2000
-
N-alpha-acetylornithine
N-Acetylornithine
ME466335
439232
C00437
2000
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME466478
-
-
2002
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME465756
5288075
-
2006
-
fructose
Fructose
ME466133
5984
C00095
2022.2
-
xanthine
Xanthine
ME466546
1188
C00385
2023
-
hydroxycotinine
trans-3-Hydroxycotinine
ME466209
10219774
-
2030
-
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*
PC 16:0_18:3
ME465810
-
-
2034
-
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)...
SM 18:1;O2/20:2
ME466471
-
-
2039
-
imidazole lactate
Imidazolelactic acid
ME466215
440129
C05568
2040
-
N4-acetylcytidine
N4-Acetylcytidine
ME466297
107461
-
2040
-
deoxycarnitine
3-Dehydroxycarnitine
ME466086
134
C01181
2052
-
4-imidazoleacetate
Imidazoleacetic acid
ME465941
96215
C02835
2055
-
creatinine
Creatinine
ME466071
588
C00791
2055
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME466305
193270
-
2056
-
2-aminobutyrate
2-Aminobutyric acid
ME465843
439691
C02261
2059
-
cytosine
Cytosine
ME466080
597
C00380
2060
-
myristoyl dihydrosphingomyelin (d18:0/14:0)*
SM 18:0;O2/14:0
ME466286
-
-
2060
-
1-methylimidazoleacetate
Methylimidazoleacetic acid
ME465795
75810
C05828
2064
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME465914
47
C00671
2064.2
-
N-acetylhistidine
N-Acetylhistidine
ME466320
75619
C02997
2065
-
glycerate
Glyceric acid
ME466167
752
C00258
2070.4
-
adenosine
Adenosine
ME465986
60961
C00212
2075.4
-
hydantoin-5-propionic acid
Hydantoin-5-propionic acid
ME466207
782
C05565
2080
-
sphingomyelin (d18:1/15:0, d16:1/17:0)*
SM 33:1;O2
ME466465
-
-
2082
-
1,2-dilinoleoyl-GPE (18:2/18:2)*
PE 18:2/18:2
ME465757
9546812
-
2083
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME466046
2572
-
2085
-
malonylcarnitine
CAR DC3:0
ME466264
22833583
-
2086
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME465807
10747814
-
2091
-
3-(N-acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME465881
83967
-
2094
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME466304
-
-
2100
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME466527
1145
C01104
2100
-
caffeine
Caffeine
ME466041
2519
C07481
2106
-
hippurate
Hippuric acid
ME466202
464
C01586
2106.9
-
N1-methyladenosine
1-Methyladenosine
ME465793
27476
C02494
2120
-
pro-hydroxy-pro
Pro-hydroxyPro
ME466425
11673055
-
2128
-
cysteinylglycine
Cys-Gly
ME466077
439498
C01419
2132
-
prolylglycine
Pro-Gly
ME466424
-
-
2136
-
N-acetylglutamine
N-Acetylglutamine
ME466318
182230
C02716
2140
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME466405
92258
C04148
2145
-
argininate*
Argininic acid
ME466020
160437
-
2150
-
phenylacetate
Phenyl acetate
ME466402
999
C07086
2150
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME465740
-
-
2154
-
succinimide
Succinimide
ME466499
11439
C07273
2155
-
phenol sulfate
Phenyl hydrogen sulfate
ME466401
74426
C02180
2156
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME465811
5287971
-
2160
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME465817
-
-
2160
-
3-methoxycatechol sulfate (1)
-
ME465908
-
-
2163
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME466300
161466
-
2164
-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*
PC 18:1_18:2
ME465799
-
-
2165
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME466467
6443882
-
2167
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME466387
9939941
-
2168
-
4-methyl-2-oxopentanoate
Ketoleucine
ME465942
70
C00233
2170
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME466163
68662
-
2170
-
4-acetamidophenol
Acetaminophen
ME465926
1983
C06804
2173.7
-
7-methylguanine
7-Methylguanine
ME465975
11361
C02242
2175
-
3-methylcytidine
3-Methylcytidine
ME465915
159649
-
2176
-
theanine
N(5)-Ethyl-glutamine
ME466514
439378
C01047
2180
-
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME465854
10253
C07588
2184
-
indoleacetylglutamine
Indoleacetyl glutamine
ME466220
25200879
-
2185
-
pyridoxate
4-Pyridoxic acid
ME466431
6723
C00847
2185
-
erythronate*
Erythronic acid
ME466124
2781043
-
2186
-
salicylate
Salicylic acid
ME466447
338
C00805
2195
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME465808
9546800
-
2198
-
3-methoxycatechol sulfate (2)
-
ME465909
-
-
2200
-
mannose
Mannose
ME466269
18950
C00159
2200
-
pipecolate
Pipecolic acid
ME466415
849
C00408
2200
-
phenyllactate (PLA)
Phenyllactic acid
ME466407
3848
C05607
2208
-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...
SM 40:3;O2
ME466474
-
-
2209
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME466294
92919
-
2210
-
cotinine
Cotinine
ME466068
854019
-
2213
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME465886
64956
C05145
2215
-
sphingomyelin (d18:2/24:2)*
SM 18:2;O2/24:2
ME466484
-
-
2215
-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...
PC P-16:0/16:1 or PC O-16:1/16:1
ME465746
-
-
2218
-
adenine
Adenine
ME465985
190
C00147
2221
-
3-indoxyl sulfate
Indoxyl sulfate
ME465907
10258
-
2222.2
-
kynurenate
Kynurenic acid
ME466234
3845
C01717
2224
-
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
ME465742
-
-
2226
-
N-acetylputrescine
N-Acetylputrescine
ME466327
122356
C02714
2230
-
xanthurenate
Xanthurenic acid
ME466548
5699
C02470
2236
-
N-acetyl-S-allyl-L-cysteine
-
ME466328
152467
-
2237
-
N-acetylarginine
N-Acetylarginine
ME466308
67427
C02562
2245
-
orotidine
Orotidine
ME466376
92751
C01103
2250
-
2-acetamidophenol sulfate
2-Acetamidophenol sulfate
ME465842
181671
-
2251
-
delta-tocopherol
delta-Tocopherol
ME466085
92094
C14151
2259
-
mannitol/sorbitol
Sorbitol
ME466268
5780
C01507
2260
-
imidazole propionate
Imidazole propanoate
ME466216
70630
-
2263
-
N6-methyladenosine
N6-Methyladenosine
ME466302
102175
-
2264
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME465741
-
-
2270
-
cystathionine
Cystathionine
ME466073
439258
C02291
2270
-
cysteine s-sulfate
Cysteine-S-sulfate
ME466075
115015
C05824
2273
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME465812
9546747
-
2275
-
paraxanthine
Paraxanthine
ME466396
4687
C13747
2279
-
acetylcarnitine (C2)
CAR 2:0
ME465982
1
C02571
2282
-
trans-urocanate
Urocanic acid
ME466524
736715
C00785
2285
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME466385
9939965
-
2290
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME466500
-
-
2291
-
valylglutamine
Val-Gln
ME466541
5253209
-
2295
-
acisoga
Acisoga
ME465983
129397
-
2297
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME465824
16219824
-
2300
-
pyrraline
Pyrraline
ME466433
-
-
2304
-
galactitol (dulcitol)
Galactitol
ME466136
11850
C01697
2309.7
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME466466
-
-
2312
-
sphingomyelin (d18:2/23:1)*
SM 18:2;O2/23:1
ME466482
-
-
2315
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME465933
500
C01035
2320
-
1-(1-enyl-oleoyl)-2-linoleoyl-GPE (P-18:1/18:2)*
-
ME465738
-
-
2324
-
N-acetylisoleucine
N-Acetylisoleucine
ME466321
2802421
-
2325
-
sphingomyelin (d18:1/19:0, d19:1/18:0)*
SM 37:1;O2
ME466468
-
-
2330
-
sphingomyelin (d18:2/21:0, d16:2/23:0)*
SM 39:2;O2
ME466480
-
-
2330
-
3-hydroxybutyrylcarnitine (2)
CAR 4:0;3OH
ME465895
-
-
2340
-
glucose
Glucose
ME466160
79025
C00031
2342
-
pyridoxal
Pyridoxal
ME466430
1050
C00250
2343
-
O-methylcatechol sulfate
-
ME466373
22473
-
2344
-
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
ME465743
-
-
2351
-
phenylacetylglutamate
N-Phenylacetylglutamic acid
ME466404
11579826
-
2357
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME465814
6436017
-
2358
-
N-formylphenylalanine
N-Formylphenylalanine
ME466342
759256
-
2360
-
sphingomyelin (d18:0/18:0, d19:0/17:0)*
SM 36:0;O2
ME466462
-
-
2362
-
N-acetylkynurenine (2)
N-Acetylkynurenine
ME466322
-
-
2364
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME465758
452110
-
2365
-
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME465929
4684006
-
2375
-
2-oxindole-3-acetate
2-Oxindole-3-acetate
ME465871
3080590
-
2378
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME465828
-
-
2380
-
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME466141
-
-
2380
-
sphingomyelin (d18:1/20:1, d18:2/20:0)*
SM 38:2;O2
ME466470
-
-
2383
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME466157
-
-
2384
-
threonate
Threonic acid
ME466518
151152
C01620
2384
-
N-acetyl-cadaverine
N-Acetylcadaverine
ME466312
-
-
2385
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME466166
71464488
-
2393
-
3-hydroxybutyrylcarnitine (1)
CAR 4:0;3OH
ME465894
53481617
-
2400
-
N-acetylleucine
N-Acetylleucine
ME466323
70912
C02710
2400
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME466460
6453725
C00550
2400
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME465870
150971
-
2411
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]...
DG 18:2_22:6
ME466255
-
-
2417
-
3-(cystein-S-yl)acetaminophen*
3-(Cystein-S-yl)acetaminophen
ME465880
5233914
-
2420
-
p-cresol-glucuronide*
P-Cresol glucuronide
ME466398
154035
-
2420
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME465825
5289133
-
2424
-
flavin adenine dinucleotide (FAD)
FAD
ME466131
643975
C00016
2425
-
ribonate
Ribonic acid
ME466442
5460677
C01685
2425
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*
DG 18:2_18:3
ME466257
-
-
2426
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME466171
439964
C03274
2430
-
tyrosine
Tyrosine
ME466531
6057
C00082
2430
-
quinate
Quinic acid
ME466436
6508
C00296
2432.9
-
2-methylmalonylcarnitine (C4-DC)
CAR DC3:0;2Me
ME465868
53481628
-
2440
-
umbelliferone sulfate
Umbelliferone sulfate
ME466532
129659
-
2442.8
-
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
ME465744
-
-
2443
-
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
ME465747
11146967
-
2454
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME466076
4247235
-
2465
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]...
DG 18:2_22:6
ME466256
-
-
2468
-
4-hydroxycoumarin
4-Hydroxycoumarin
ME465936
54682930
C20414
2470
-
3-acetylphenol sulfate
3-Acetylphenol sulfate
ME465885
-
-
2477
-
ceramide (d18:1/14:0, d16:1/16:0)*
Cer 36:1;O2
ME466051
-
-
2477
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*
DG 18:2_18:3
ME466258
-
-
2478
-
valine
Valine
ME466540
6287
C00183
2479
-
1,2-dipalmitoyl-GPE (16:0/16:0)*
PE 16:0/16:0
ME465759
-
-
2498
-
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME465970
-
-
2498
-
gamma-CEHC glucuronide*
-
ME466140
-
-
2500
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME466301
-
-
2500
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME465815
5283496
-
2509
-
maleate
Maleic acid
ME466263
444266
C01384
2510
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME465750
9547058
-
2511
-
phenylpyruvate
Phenylpyruvic acid
ME466408
997
C00166
2517.6
-
4-cholesten-3-one
Cholestenone
ME465931
91477
C00599
2520
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME465829
9546749
-
2522
-
alpha-tocopherol
alpha-Tocopherol
ME466002
14985
C02477
2522
-
methionine
Methionine
ME466273
6137
C00073
2526
-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)
LacCer 18:1;O2/16:0
ME466238
-
-
2527
-
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]...
DG 16:1_20:4
ME466382
-
-
2528
-
DSGEGDFXAEGGGVR*
-
ME466112
-
-
2535
-
serotonin
Serotonin
ME466453
5202
C00780
2550
-
3-methoxytyrosine
3-Methoxytyrosine
ME465911
1670
-
2555
-
adipoylcarnitine (C6-DC)
CAR DC5:0
ME465989
-
-
2558
-
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)
PS 18:0/20:4
ME465827
-
-
2565
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*
DG 18:2_20:4
ME466251
-
-
2566
-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*
PI 16:0/20:4
ME465809
-
-
2567
-
indolin-2-one
Indolin-2-one
ME466223
321710
C12312
2575
-
3-methylglutaconate
3E-Methylglutaconic acid
ME465916
1551553
-
2579.6
-
S-methylmethionine
S-Methylmethionine
ME466456
458
C05319
2584
-
propionylcarnitine (C3)
CAR 3:0
ME466426
107738
C03017
2590
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME466326
74839
C03519
2597
-
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
ME465745
-
-
2600
-
indolelactate
Indolelactic acid
ME466221
92904
C02043
2600
-
sphingomyelin (d18:0/20:0, d16:0/22:0)*
SM 38:0;O2
ME466463
-
-
2600
-
alpha-CEHC glucuronide*
-
ME465996
-
-
2616
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME466191
-
-
2623
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*
DG 18:2_20:4
ME466252
-
-
2624
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME466332
700653
C03137
2630
-
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
ME465751
-
-
2633
-
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME466483
-
-
2635
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME466151
7009567
-
2640
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME465831
-
-
2644
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME465818
-
-
2653
-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*
DG 16:1_18:2
ME466384
-
-
2664
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME466013
-
-
2664.6
-
4-methylcatechol sulfate
-
ME465943
-
-
2665
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...
SM 40:2;O2
ME466473
-
-
2666
-
tryptophan betaine
Lenticin
ME466529
442106
C09213
2673
-
3-methylglutarylcarnitine (2)
CAR DC5:0;3Me
ME465918
128145
-
2675
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME466055
10981970
-
2685
-
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME466469
-
-
2685
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME466259
-
-
2689
-
S-allylcysteine
S-Allylcysteine
ME466449
98280
-
2690
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME465892
1662
C03761
2700
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME466001
51
C00026
2700
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME466156
7015683
-
2700
-
cholesterol
Cholesterol
ME466059
11025495
C00187
2707
-
caproate (6:0)
Caproic acid
ME466044
8892
C01585
2713.7
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME466144
-
-
2717
-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)
PI 16:0/18:2
ME465813
-
-
2730
-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*
DG 34:3
ME466088
-
-
2733
-
kynurenine
Kynurenine
ME466235
161166
C00328
2739
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME466148
7017195
-
2740
-
gulonate*
Gulonic acid
ME466196
9794176
-
2750
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME465967
439176
C00170
2752
-
1-methylhistidine
1-Methylhistidine
ME465794
92105
C01152
2755
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME465946
-
-
2755
-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME466414
-
-
2773
-
leucylglycine
Leu-Gly
ME466243
79070
-
2778
-
hexanoylglutamine
Hexanoylglutamine
ME466200
-
-
2780
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME466143
65254
-
2784
-
ethylmalonate
Ethylmalonic acid
ME466128
11756
-
2785
-
3-methyl catechol sulfate (1)
-
ME465912
-
-
2790
-
5-hydroxylysine
5-Hydroxylysine
ME465966
1029
C16741
2790
-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...
SM 39:1;O2
ME466472
-
-
2793
-
o-cresol sulfate
o-Cresol sulfate
ME466358
11615528
-
2796
-
isoleucine
Isoleucine
ME466229
6306
C00407
2800
-
methylsuccinate
Methylsuccinic acid
ME466281
10349
-
2800
-
ornithine
Ornithine
ME466374
6262
C00077
2800
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME466226
168379
-
2810
-
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*
DG 18:1_18:3
ME466368
-
-
2819
-
arginine
Arginine
ME466021
232
C00062
2825
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME466298
440120
C03793
2825
-
3-methylglutarate/2-methylglutarate
Methylglutaric acid
ME465917
-
-
2832
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME465890
123979
-
2840
-
daidzein sulfate (1)
-
ME466081
-
-
2843
-
N-monomethylarginine
Targinine
ME466348
132862
C03884
2845
-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...
SM 41:2;O2
ME466481
-
-
2845
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME466097
123831
C03626
2850
-
indoleacetate
Indoleacetic acid
ME466219
802
C00954
2850
-
lysine
Lysine
ME466261
5962
C00047
2850
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME465832
-
-
2858
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME465922
107
C05629
2860
-
butyrylcarnitine (C4)
CAR 4:0
ME466039
439829
C02862
2860
-
leucine
Leucine
ME466242
6106
C00123
2864
-
campesterol
Campesterol
ME466042
173183
C01789
2873
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME466278
-
-
2873
-
phenylalanine
Phenylalanine
ME466406
6140
C00079
2878
-
homoarginine
Homoarginine
ME466204
9085
C01924
2882
-
p-cresol sulfate
p-Cresol sulfate
ME466397
4615423
C01468
2890
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME466354
5283564
-
2893
-
glutarate (pentanedioate)
Glutaric acid
ME466165
743
C00489
2900
-
hexanoylglycine
Hexanoylglycine
ME466201
99463
-
2900
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*
DG 18:1_20:4
ME466364
-
-
2907
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*
DG 16:0_20:4
ME466388
-
-
2916
-
gluconate
Gluconic acid
ME466159
10690
C00257
2922
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME466149
14253342
-
2940
-
cys-gly, oxidized
CYS-GLY, oxidized
ME466072
333293
-
2947
-
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
ME465752
-
-
2950
-
tiglylcarnitine (C5:1-DC)
CAR DC5:1
ME466523
22833596
-
2962
-
suberoylcarnitine (C8-DC)
CAR DC8:0
ME466497
-
-
2964
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME466154
3989307
-
2975
-
tryptophan
Tryptophan
ME466528
6305
C00078
2986
-
dodecanedioate
Dodecanedioic acid
ME466109
12736
C02678
2990
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*
DG 18:1_20:4
ME466365
-
-
2990
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME466150
151023
-
2991
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME465826
-
-
3000
-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)
PS 18:0/18:1
ME465834
9547087
-
3000
-
adipate
Adipic acid
ME465988
196
C06104
3000
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*
DG 16:0_20:4
ME466389
-
-
3015
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME466475
-
-
3033
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME465865
6426901
-
3035
-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
HexCer 18:1;O2/18:0
ME466192
-
-
3053
-
beta-sitosterol
Sitosterol
ME466033
222284
C01753
3054
-
ceramide (d18:1/17:0, d17:1/18:0)*
Cer 35:1;O2
ME466052
-
-
3055
-
4-hydroxy-2-oxoglutaric acid
4-Hydroxy-2-oxoglutaric acid
ME465934
599
C01127
3073
-
methylmalonate (MMA)
Methylmalonic acid
ME466279
487
C02170
3078.4
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*
DG 16:0_18:2
ME466392
9543695
-
3080
-
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME466026
-
-
3083
-
fumarate
Fumaric acid
ME466134
444972
C00122
3084
-
galactonate
Galactonic acid
ME466137
128869
C00880
3085
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME466232
6426851
-
3085
-
alpha-CEHC sulfate
alpha-CEHC sulfate
ME465997
-
-
3090
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME466353
5283572
-
3090
-
phenylacetylcarnitine
-
ME466403
-
-
3092
-
N(4)-acetylspermidine
-
ME466289
128317
-
3095
-
N1,N12-diacetylspermine
N1,N12-Diacetylspermine
ME466290
132680
C03413
3105
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME466369
-
-
3115
-
gabapentin
Gabapentin
ME466135
-
D00332
3123
-
cinnamoylglycine
Cinnamoylglycine
ME466061
709625
-
3127
-
valylleucine
Val-Leu
ME466543
352039
-
3138
-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*
PI 16:0/18:1
ME465816
-
-
3140
-
sucralose
Sucralose
ME466501
71485
C12285
3140
-
behenoyl dihydrosphingomyelin (d18:0/22:0)*
SM 18:0;O2/22:0
ME466025
-
-
3150
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME465844
227939
-
3160
-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)
PI 18:0/18:2
ME465830
-
-
3185
-
chiro-inositol
1D-chiro-Inositol
ME466057
-
C19891
3191.2
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*
DG 16:0_18:2
ME466393
-
-
3197
-
tricosanoyl sphingomyelin (d18:1/23:0)*
SM 18:1;O2/23:0
ME466525
-
-
3200
-
indolepropionate
3-Indolepropionic acid
ME466222
3744
-
3205
-
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...
SM 43:1;O2
ME466476
-
-
3220
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME466370
-
-
3223
-
glucuronate
Glucuronic acid
ME466161
444791
C00191
3233.3
-
hexanoylcarnitine (C6)
CAR 6:0
ME466199
6426853
-
3308
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME465945
6426766
C05627
3320
-
maltose
Maltose
ME466265
10991489
C00208
3329.4
-
daidzein sulfate (2)
-
ME466082
-
-
3330
-
methyl indole-3-acetate
Indole-3-methyl acetate
ME466277
74706
-
3339
-
4-vinylguaiacol sulfate
4-Vinylguaiacol sulfate
ME465944
-
-
3354
-
spermidine
Spermidine
ME466457
1102
C00315
3355
-
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*
HexCer 40:2;O2
ME466185
-
-
3373
-
quinine
Quinine
ME466437
2728270
-
3378
-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*
HexCer 42:3;O2
ME466188
-
-
3380
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME466355
5283565
-
3392
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*
DG 18:0_20:4
ME466491
-
-
3404
-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*
HexCer 38:1;O2
ME466186
-
-
3414
-
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*
HexCer 18:2;O2/22:0
ME466189
-
-
3420
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME466244
-
-
3437
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME465902
26613
-
3446
-
2-hydroxyibuprofen
2-Hydroxyibuprofen
ME465855
-
-
3462
-
myo-inositol
Myo-inositol
ME466282
892
C00137
3506.3
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*
DG 18:0_20:4
ME466492
-
-
3522
-
5-bromotryptophan
5-Bromo-tryptophan
ME465962
96735
-
3525
-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*
DG 18:1_18:1
ME466371
-
-
3571
-
4-ethylphenylsulfate
4-Ethylphenol
ME465932
-
C13637
3580
-
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*
HexCer 41:2;O2
ME466187
-
-
3667
-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*
DG 18:1_18:1
ME466372
-
-
3695
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*
DG 16:0_18:1
ME466394
-
-
3695
-
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*
PI 18:0/18:1
ME465833
-
-
3711
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME465857
94180
-
3736.8
-
androstenediol (3beta,17beta) disulfate (1)
4-Androsten-3beta,17beta-diol disulfate
ME466007
10634
C04295
3740
-
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*
DG 18:0_18:2
ME466495
-
-
3762
-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*
LacCer 18:1;O2/24:1
ME466237
-
-
3778
-
eugenol sulfate
Eugenol sulfate
ME466130
180632
-
3782
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME465930
-
-
3805
-
3,4-methyleneheptanoate
-
ME465882
-
-
3807
-
gamma-CEHC
gamma-CEHC
ME466139
133098
-
3843
-
ceramide (d16:1/24:1, d18:1/22:1)*
Cer 40:2;O2
ME466050
-
-
3850
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME466172
-
-
3850
-
N-nervonoyl-sphingadiene (d18:2/24:1)*
Cer 18:2;O2/24:1
ME466349
-
-
3858
-
pregnen-diol disulfate*
-
ME466420
-
-
3868
-
andro steroid monosulfate (1)*
5alpha-Androstane-3alpha-ol-17-one sulfate
ME466004
-
C04555
3871
-
5alpha-androstan-3beta,17beta-diol disulfate
-
ME465956
242332
C12525
3880
-
isoeugenol sulfate
-
ME466228
-
-
3893
-
N-behenoyl-sphingadienine (d18:2/22:0)*
Cer 18:2;O2/22:0
ME466338
-
-
3911
-
N-behenoyl-hexadecanoylsphingosine (d16:1/22:0)*
-
ME466337
-
-
3920
-
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME465840
134595
C05485
3935
-
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME465959
-
-
3962
-
propyl 4-hydroxybenzoate sulfate
-
ME466428
-
-
3971
-
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*
HexCer 18:1;O2/24:1
ME466190
-
-
3990
-
tetradecanedioate
Tetradecanedioic acid
ME466513
13185
-
4000
-
alpha-CEHC
alpha-CEHC
ME465995
9943542
-
4045
-
androstenediol (3beta,17beta) disulfate (2)
4-Androsten-3beta,17beta-diol disulfate
ME466008
10634
C04295
4065
-
3,4-methyleneheptanoylcarnitine
-
ME465883
-
-
4096
-
naproxen
Naproxen
ME466336
156391
C01517
4155
-
5alpha-androstan-3beta,17alpha-diol disulfate
5alpha-Androstan-3beta,17alpha-diol disulfate
ME465955
-
-
4215
-
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME465773
-
-
4240
-
5alpha-androstan-3alpha,17beta-diol disulfate
5alpha-Androstan-3alpha,17beta-diol disulfate
ME465952
-
-
4275
-
11-ketoetiocholanolone glucuronide
-
ME465767
-
-
4280
-
bilirubin (E,E)*
Bilirubin
ME466036
5315454
-
4294
-
5alpha-pregnan-3(alpha or beta),20beta-diol disulf...
-
ME465958
5127902
-
4310
-
ursodeoxycholate sulfate (1)
-
ME466538
-
-
4328
-
caprylate (8:0)
Caprylic acid
ME466045
379
C06423
4362
-
thymol sulfate
-
ME466520
-
C09908
4410
-
estrone 3-sulfate
Estrone 3-sulfate
ME466126
3001028
C02538
4417.3
-
4-hydroxychlorothalonil
4-Hydroxychlorothalonil
ME465935
34217
-
4427
-
androstenediol (3beta,17beta) monosulfate (1)
-
ME466009
-
-
4500
-
androstenediol (3beta,17beta) monosulfate (2)
-
ME466010
-
-
4500
-
cortisone
Cortisone
ME466067
222786
C00762
4572.5
-
testosterone sulfate
Testosterone sulfate
ME466512
119207
C00535
4600
-
hexadecanedioate
Hexadecanedioic acid
ME466198
10459
C19615
4615
-
21-hydroxypregnenolone monosulfate (1)
-
ME465841
174681
-
4624
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME465897
26612
-
4634.7
-
5alpha-androstan-3beta,17beta-diol monosulfate (2)
-
ME465957
-
-
4685
-
androstenediol (3alpha, 17alpha) monsulfate (2)
-
ME466005
-
-
4712
-
cortisol
Cortisol
ME466066
5754
C00735
4713.2
-
dehydroisoandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME466084
12594
C04555
4745
-
glycocholenate sulfate*
Glycocholenate sulfate
ME466179
-
-
4750
-
taurocholenate sulfate
Taurocholenate sulfate
ME466509
-
-
4750
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME466506
168408
-
4774
-
17alpha-hydroxypregnenolone 3-sulfate
-
ME465776
152971
-
4800
-
glycochenodeoxycholate glucuronide (1)
Glycochenodeoxycholic acid 3-glucuronide
ME466176
-
-
4806
-
thyroxine
Thyroxine
ME466521
5819
C01829
4808
-
glycochenodeoxycholate sulfate
-
ME466177
-
-
4820
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME465852
21488
-
4840
-
epiandrosterone sulfate
Epiandrosterone
ME466119
-
C07635
4855
-
glycodeoxycholate sulfate
Glycodeoxycholate sulfate
ME466181
-
-
4875
-
etiocholanolone glucuronide
Androsterone 3-glucuronide
ME466129
-
-
4915
-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...
-
ME465953
-
-
4925
-
ibuprofen
Ibuprofen
ME466214
3672
D00126
4925
-
5alpha-androstan-3alpha, 17beta-diol 17-glucosidur...
-
ME465950
-
-
4930
-
pregn steroid monosulfate*
Pregnenolone sulfate
ME466417
-
-
5000
-
glycolithocholate sulfate*
Sulfoglycolithocholic acid
ME466184
72222
C11301
5011
-
glycohyocholate
Glycohyocholic acid
ME466182
-
-
5020
-
androsterone sulfate
5alpha-Androstane-3alpha-ol-17-one sulfate
ME466011
159663
-
5022
-
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME466511
440071
C03642
5026.7
-
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME466193
12310288
-
5033
-
corticosterone
Corticosterone
ME466065
5753
C02140
5040
-
octadecanedioate
Octadecanedioic acid
ME466359
70095
-
5043
-
hyocholate
Hyocholic acid
ME466211
92805
C17649
5046
-
ursodeoxycholate
Ursodeoxycholic acid
ME466537
31401
C07880
5055
-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
-
ME465960
-
-
5060
-
17alpha-hydroxypregnanolone glucuronide
-
ME465775
-
-
5071.9
-
5alpha-androstan-3alpha,17beta-diol monosulfate (2...
-
ME465954
-
-
5080
-
7-ketolithocholate
7-Ketolithocholic acid
ME465974
444262
-
5082
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME465766
-
-
5085.8
-
caprate (10:0)
Capric acid
ME466043
2969
C01571
5090.7
-
pregnenolone sulfate
Pregnenolone sulfate
ME466421
105074
-
5100
-
12,13-DiHOME
12,13-DiHOME
ME465768
10236635
C14829
5137
-
pregnanediol-3-glucuronide
Pregnanediol-3-glucuronide
ME466418
123796
-
5145
-
taurocholate
Taurocholic acid
ME466508
6675
C05122
5150
-
pregnanolone/allopregnanolone sulfate
3alpha-Hydroxy-5beta-pregnane-20-one
ME466419
-
-
5160
-
glycocholate
Glycocholic acid
ME466178
10140
C01921
5163
-
cholate
Cholic acid
ME466058
221493
C00695
5165
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME465901
94216
-
5175
-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)
-
ME465961
-
-
5180
-
9,10-DiHOME
9,10-DiHOME
ME465978
9966640
C14828
5180
-
androstenediol (3alpha, 17alpha) monsulfate (3)
-
ME466006
-
-
5180
-
eicosanodioate
Eicosanedioic acid
ME466115
75502
-
5200.9
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME465889
92997
-
5205
-
5alpha-androstan-3alpha,17alpha-diol monosulfate
-
ME465951
-
-
5208
-
2-hydroxylaurate
2-Hydroxylauric acid
ME465856
97783
-
5211
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME465963
5312378
-
5224
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME466175
12544
C05466
5236.1
-
16-hydroxypalmitate
Juniperic acid
ME465774
10466
C18218
5236.2
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME466507
387316
C05465
5250
-
taurodeoxycholate
Taurodeoxycholic acid
ME466510
2733768
C05463
5257.4
-
chenodeoxycholate
Chenodeoxycholic acid
ME466056
10133
C02528
5264
-
13-HODE + 9-HODE
HODE
ME465770
43013
-
5275
-
3beta,7alpha-dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoic acid
ME465887
3081084
C17335
5275
-
glycodeoxycholate
Glycodeoxycholic acid
ME466180
3035026
C05464
5281
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME465972
3081085
C17337
5288.1
-
docosadioate
Docosanedioic acid
ME466100
244872
-
5291.8
-
deoxycholate
Deoxycholic acid
ME466087
222528
C04483
5294
-
14-HDoHE/17-HDoHE
-
ME465772
-
-
5296
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME466030
-
-
530
-
laurate (12:0)
Lauric acid
ME466240
3893
C02679
5300
-
12-HETE
12-HETE
ME465769
5312983
-
5326
-
myristoleate (14:1n5)
Myristoleic acid
ME466284
5281119
C08322
5346.9
-
glycolithocholate
Glycolithocholic acid
ME466183
115245
C15557
5357.1
-
9-hydroxystearate
9-Hydroxy stearic acid
ME465979
9570127
-
5384
-
stearidonate (18:4n3)
Stearidonic acid
ME466489
5312508
C16300
5395
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME465888
-
-
5398
-
myristate (14:0)
Myristic acid
ME466283
11005
C06424
5440
-
eicosapentaenoate (EPA; 20:5n3)
Eicosapentaenoic acid
ME466116
446284
C06428
5450
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME466248
5280934
C06426
5450
-
palmitoleate (16:1n7)
Palmitoleic acid
ME466381
445638
C08362
5475
-
1-arachidonoyl-GPI (20:4)*
LPI 20:4/0:0
ME465780
-
-
5482
-
1-linoleoyl-GPI (18:2)*
LPI 18:2/0:0
ME465792
-
-
5494
-
13-methylmyristate
Isopentadecylic acid
ME465771
151014
-
5499
-
N-linoleoylglycine
N-linoleoylglycine
ME466344
6433346
-
5510
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME465858
92836
-
5511.2
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME465791
-
-
5516
-
pentadecanoate (15:0)
Pentadecylic acid
ME466399
13849
C16537
5521
-
docosahexaenoate (DHA; 22:6n3)
LPC 22:6
ME466101
445580
C06429
5525
-
arachidonate (20:4n6)
Arachidonic acid
ME466015
444899
C00219
5535
-
linoleate (18:2n6)
Linoleic acid
ME466247
5280450
C01595
5535
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME465764
5312435
-
5555
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME465823
-
-
5564
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME465822
3300276
-
5570
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME466104
6441454
C16513
5571
-
N-palmitoylglycine
N-Palmitoyl glycine
ME466352
151008
-
5580
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME466090
5280581
C03242
5596
-
1-oleoyl-GPI (18:1)*
LPI 18:1/0:0
ME465804
-
-
5599
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME465803
-
-
5610
-
N-oleoyltaurine
N-Oleoyl taurine
ME466350
6437033
-
5610
-
palmitate (16:0)
Palmitic acid
ME466379
985
C00249
5618
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME466105
6441454
C16513
5624.5
-
mead acid (20:3n9)
ETrE(5Z,8Z,11Z)
ME466272
5312531
-
5650
-
oleate/vaccenate (18:1)
Oleic acid
ME466362
-
-
5655
-
3-hydroxystearate
3-Hydroxystearic acid
ME465906
5282907
-
5674
-
adrenate (22:4n6)
Adrenic acid
ME465990
5497181
C16527
5678
-
15-methylpalmitate
15-Methylpalmitic acid
ME466280
17903417
-
5695
-
2-hydroxystearate
2-Hydroxystearic acid
ME465860
69417
C03045
5695
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME466089
6439848
C16525
5730
-
margarate (17:0)
Margaric acid
ME466270
10465
-
5731
-
2-methylcitrate/homocitrate
Homocitric acid
ME465867
-
-
575
-
phosphate
Phosphoric acid
ME466409
1061
C00009
576
-
pristanate
Pristanic acid
ME466422
123929
-
5773
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME465765
5312513
-
5780
-
N-stearoyltaurine
N-Stearoyl taurine
ME466356
168274
-
5782
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME465837
-
-
5794.3
-
aconitate [cis or trans]
cis-Aconitic acid
ME465984
-
C00417
580
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME466169
754
C00093
580
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME465838
9547101
-
5800
-
citrate
Citric acid
ME466063
311
C00158
582
-
docosatrienoate (22:3n3)
13,16,19-Docosatrienoic acid
ME466107
5312556
C16534
5823
-
docosatrienoate (22:3n6)*
Docosatrienoic acid
ME466108
-
-
5850
-
stearate (18:0)
Stearic acid
ME466488
5281
C01530
5872
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME465923
724
C00597
590
-
phytanate
Phytanic acid
ME466412
26840
C01607
5908
-
eicosenoate (20:1)
cis-Gondoic acid
ME466117
5282768
-
5950
-
17-methylstearate
Xi-17-Methyloctadecanoic acid
ME465777
3083779
-
5993
-
oxalate (ethanedioate)
Oxalic acid
ME466378
971
C00209
603
-
succinate
Succinic acid
ME466498
1110
C00042
603
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME466099
5282807
C16533
6034
-
nonadecanoate (19:0)
Nonadecylic acid
ME466351
12591
C16535
6068
-
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME465805
-
-
6094
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME466504
45
C02287
610
-
linoleoyl ethanolamide
Linoleoyl-EA
ME466250
5283446
-
6150
-
tartarate
Tartaric acid
ME466503
444305
C00898
615.3
-
malate
Malic acid
ME466262
525
C00149
615.6
-
sulfate*
Sulfate
ME466502
1118
C00059
616
-
2-arachidonoylglycerol (20:4)
MG 20:4
ME465847
5282280
C13856
6170
-
linoleamide (18:2n6)
Linoleamide
ME466246
6435901
-
6205
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME466309
65065
C01042
620.5
-
1-arachidonylglycerol (20:4)
MG 20:4
ME465781
5282281
C13857
6250
-
2-linoleoylglycerol (18:2)
MG 18:2
ME465862
5365676
-
6250
-
arachidate (20:0)
Arachidic acid
ME466014
10467
C06425
6295
-
palmitoyl ethanolamide
Palmitoyl-EA
ME466386
4671
C16512
6300
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME465876
-
-
6350
-
erucate (22:1n9)
cis-Erucic acid
ME466121
5281116
C08316
6355.6
-
EDTA
Edetic acid
ME466114
6049
C00284
643
-
oleoyl ethanolamide
Oleoyl-EA
ME466363
5283454
-
6450
-
1-linoleoylglycerol (18:2)
MG 18:2
ME465787
5283469
-
6477
-
inosine 5'-monophosphate (IMP)
IMP
ME466225
8582
C00130
650
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME465869
5319879
-
6500
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME465819
14900
-
6550
-
oleamide
Oleamide
ME466361
5283387
C19670
6581
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME466170
123874
C01233
659
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME466325
439197
C00270
660
-
perfluorooctanesulfonic acid (PFOS)
Perfluorooctanesulfonic acid
ME466400
74483
C18142
662
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME465800
5283468
-
6650
-
palmitic amide
Palmitamide
ME466380
69421
-
6690
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME466173
71920
C00670
672
-
lactate
Lactic acid
ME466236
612
C00186
681.6
-
taurine
Taurine
ME466505
1123
C00245
690
-
choline phosphate
Choline phosphate
ME466410
1014
C00588
700
-
phosphoethanolamine
Phosphoethanolamine
ME466411
1015
C00346
700
-
urea
Urea
ME466535
1176
C00086
700
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME466315
-
-
715
-
hypotaurine
Hypotaurine
ME466212
107812
C00519
724
-
pyruvate
Pyruvic acid
ME466434
1060
C00022
732.4
-
5-oxoproline
Pyroglutamic acid
ME465969
7405
C01879
738.5
-
2-aminooctanoate
2-Aminocaprylic acid
ME465845
69522
-
750
-
histidine
Histidine
ME466203
6274
C00135
755.9
-
urate
Uric acid
ME466534
1175
C00366
757.1
-
glycerol
Glycerol
ME466168
753
C00116
758
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME466311
76406
C01073
773
-
ethyl glucuronide
Ethyl glucuronide
ME466127
152226
-
793
-
N-acetyltaurine
N-Acetyltaurine
ME466330
159864
-
800
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME465762
64960
C07326
802
-
suberate (octanedioate)
Suberic acid
ME466496
10457
C08278
804.3
-
iminodiacetate (IDA)
Iminodiacetate
ME466217
8897
C19911
808
-
carboxyibuprofen
Carboxyibuprofen
ME466047
10444113
-
810
-
maltotriose
Maltotriose
ME466267
439586
C01835
812
-
N-acetylthreonine
N-Acetylthreonine
ME466331
152204
-
821.6
-
N-acetylglycine
N-Acetylglycine
ME466319
10972
-
826
-
dimethyl sulfone
Dimethyl sulfone
ME466096
6213
C11142
832
-
quinolinate
Quinolinic acid
ME466438
1066
C03722
845
-
ergothioneine
Ergothioneine
ME466120
3032311
C05570
850
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME466339
9920500
-
858
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME465859
11970
C05852
858.6
-
N-acetylalanine
N-Acetylalanine
ME466306
88064
C02847
861.2
-
quetiapine
Quetiapine
ME466435
5002
C07397,C00458
874
-
3-ureidopropionate
Ureidopropionic acid
ME465924
111
C02642
875
-
S-methylcysteine
Methylcysteine
ME466454
24417
-
880
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME466455
82142
-
900
-
L-urobilin
L-Urobilin
ME466260
5280818
C05793
901
-
gamma-carboxyglutamate
gamma-Carboxy-glutamic acid
ME466138
40772
-
903
-
gentisate
Gentisic acid
ME466158
3469
C00628
905
-
3-methylhistidine
3-Methylhistidine
ME465919
64969
C01152
906.3
-
escitalopram
Escitalopram
ME466125
146570
-
908
-
maltotetraose
Maltotetraose
ME466266
446495
C02052
910
-
picolinate
Picolinic acid
ME466413
1018
C10164
910
-
alpha-ketobutyrate
3-Methyl pyruvic acid
ME466000
58
C00109
940
-
N-acetylcitrulline
N-Acetylcitrulline
ME466314
656979
C15532
940
-
vanillylmandelate (VMA)
Vanillylmandelic acid
ME466545
1245
C05584
941
-
octanoylcarnitine (C8)
CAR 8:0
ME466360
123701
C02838
950
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME465853
43
C02630
958
-
propionylglycine
Propionylglycine
ME466427
98681
-
960
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME465971
3014237
-
964.5
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME465891
188979
-
975
-
N6-succinyladenosine
Succinyladenosine
ME466303
-
-
980
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME466377
514186
-
990
-
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