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Return to study ST002018 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
N-carbamoylalanine
N-Carbamoylalanine
ME467102
426409
-
1005
-
solanidine
Solanidine
ME467235
65727
C06543
1010
-
adenosine 5'-monophosphate (AMP)
AMP
ME466770
6083
C00020
1013
-
biliverdin
Biliverdin
ME466802
5353439
C00500
1016
-
xanthine
Xanthine
ME467316
1188
C00385
1032
-
3,4-dihydroxyphenylacetate
3,4-Dihydroxybenzeneacetic acid
ME466666
547
C01161
1040
-
bilirubin (E,E)*
Bilirubin
ME466800
5315454
-
1045
-
homovanillate sulfate
Homovanillic acid
ME466967
29981063
-
1047
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME466619
677
C04039
1050
-
N-acetylglutamate
N-Acetylglutamic acid
ME467075
70914
C00624
1050
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME466765
99823
-
1052
-
betaine
Betaine
ME466797
247
C00719
1064
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME466969
5810
C01157
1064
-
xanthosine
Xanthosine
ME467317
64959
C01762
1075
-
uracil
Uracil
ME467300
1174
C00106
1086
-
1-methylurate
1-Methyluric acid
ME466596
69726
C16359
1099
-
vanillate
Vanillic acid
ME467315
8468
C06672
1100
-
dimethylglycine
Dimethylglycine
ME466866
673
C01026
1104
-
7-methylurate
7-Methyluric acid
ME466746
69160
-
1138
-
propionylglutamine
-
ME467197
-
-
1140
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME466796
69362
-
1149.8
-
aspartate
Aspartic acid
ME466788
5960
C00049
1165
-
caffeate
Caffeic acid
ME466806
689043
C01197
1165
-
piperine
Piperine
ME467191
638024
C03882
1168
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME467074
123826
C04540
1212
-
2-deoxyribose
2-Deoxy-ribose
ME466636
22833604
C01801
1216
-
3-hydroxyphenylacetate
3-Hydroxyphenylacetic acid
ME466685
12122
C05593
1220
-
asparagine
Asparagine
ME466787
6267
C00152
1225
-
laurylcarnitine (C12)
CAR 12:0
ME467001
10427569
-
1235
-
serine
Serine
ME467229
5951
C00065
1239
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME466913
94340
-
1240
-
N-acetyltaurine
N-Acetyltaurine
ME467094
159864
-
1249
-
2'-deoxyinosine
Deoxyinosine
ME466635
65058
C05512
1250
-
methionine sulfone
Methionine sulfone
ME467036
69961
-
1250
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME467050
69698
C05842
1250
-
thioproline
Thioproline
ME467278
-
-
1250
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME466640
-
-
1258
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME467051
440810
C05843
1260
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME466735
170748
-
1267
-
5-hydroxy-2-indolecarboxylic acid
-
ME466734
88958
-
1270
-
bilirubin (E,Z or Z,E)*
Bilirubin
ME466801
5799469
-
1270
-
methionine sulfoxide
Methionine sulfoxide
ME467037
158980
C02989
1272
-
azelate (nonanedioate)
Azelaic acid
ME466789
2266
C08261
1276
-
sarcosine
Sarcosine
ME467222
1088
C00213
1280
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME466687
3017884
-
1282
-
hexadecasphingosine (d16:1)*
C16 Sphingosine
ME466959
-
-
1289
-
glutamine
Glutamine
ME466923
5961
C00064
1291
-
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME466662
187488
-
1294
-
hypoxanthine
Hypoxanthine
ME466971
790
C00262
1295
-
hexadecasphinganine (d16:0)*
C16 Sphinganine
ME466958
656816
C13915
1300
-
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME467052
10398396
-
1310
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME467047
-
-
1316
-
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME466618
301941
-
1318
-
N-methylproline
N-Methyl-proline
ME467120
557
-
1335
-
N-propionylalanine
-
ME467131
321155
-
1335
-
2-acetamidobutanoate
-
ME466626
306107
-
1340
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME466703
18189
C02946
1350
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME467154
-
-
1357
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME466710
127
C00642
1361.1
-
phytosphingosine
Phytosphingosine
ME467186
122121
C12144
1367
-
glycine
Glycine
ME466935
750
C00037
1375
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME467287
5570
C01004
1388
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME466663
9378
C03672
1390.6
-
sphingosine
Sphingosine
ME467251
5353955
C00319
1393
-
3-ketosphinganine
3-Ketosphinganine
ME466691
631
C02934
1400
-
ribulose/xylulose
Xylulose
ME467216
-
-
1400
-
sphinganine
Sphinganine
ME467238
3126
C00836
1413
-
3-methylxanthine
3-Methylxanthine
ME466699
70639
C16357
1415
-
3,7-dimethylurate
3,7-Dimethyluric acid
ME466667
83126
C16360
1418.2
-
isobutyrylglycine
Isobutyrylglycine
ME466984
10855600
-
1420
-
oleoylcarnitine (C18:1)
CAR 18:1
ME467140
-
-
1423
-
N-methylhydantoin
N-Methylhydantoin
ME467117
69217
C02565
1425
-
palmitoylcarnitine (C16)
CAR 16:0
ME467158
461
C02990
1425
-
dihydrocaffeate
3,4-Dihydroxyhydrocinnamic acid
ME466862
348154
C10447
1430
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME466905
150914
C05283
1430
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME467014
6450015
-
1430
-
levulinate (4-oxovalerate)
Levulinic acid
ME467006
11579
-
1433
-
stachydrine
Stachydrine
ME467252
115244
C10172
1440
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME466676
441
C01089
1443.3
-
oleoylcholine
Oleoylcholine
ME467141
-
-
1449
-
syringic acid
Syringic acid
ME467265
10742
C10833
1450
-
1,2,3-benzenetriol sulfate (1)
-
ME466555
-
-
1453
-
4-hydroxycinnamate
cis-p-Coumaric acid
ME466707
637542
C00811
1457
-
uridine
Uridine
ME467302
6029
C00299
1457.6
-
1-arachidonoyl-GPC (20:4n6)*
LPC 20:4/0:0
ME466577
-
C05208
1460
-
mevalonate
Mevalonic acid
ME467043
439230
C02104
1462
-
lactate
Lactic acid
ME466994
612
C00186
1468.8
-
butyrylglycine
N-Butyrylglycine
ME466804
88412
-
1470
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME466709
151012
-
1475
-
xanthurenate
Xanthurenic acid
ME467318
5699
C02470
1476
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME466587
52925130
-
1482
-
palmitoylcholine
Palmitoylcholine
ME467159
151731
-
1482
-
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME466877
-
-
1484
-
stearoylcarnitine (C18)
CAR 18:0
ME467255
6426855
-
1485
-
cysteine
Cysteine
ME466839
5862
C00097
1488
-
S-carboxymethyl-L-cysteine
S-Carboxymethyl-cysteine
ME467223
1080
C03727
1490
-
erythritol
Erythritol
ME466883
222285
C00503
1491
-
1-methylxanthine
1-Methylxanthine
ME466597
80220
C16358
1500
-
glutamate
Glutamic acid
ME466921
611
C00025
1500
-
propionylglycine
Propionylglycine
ME467198
98681
-
1502.5
-
ribose
Ribose
ME467215
5779
C00121
1508.2
-
arachidoylcarnitine (C20)*
CAR 20:0
ME466784
-
-
1512
-
threonine
Threonine
ME467280
6288
C00188
1514
-
citrulline
Citrulline
ME466833
9750
C00327
1520
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME466607
86554
-
1525
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME467218
1196
C04322
1528
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME466906
165527
-
1535
-
nicotinate ribonucleoside
D-Ribosylnicotinate
ME467113
161234
C05841
1536
-
N-methylalanine
N-Methylalanine
ME467115
-
C02721
1536
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME466599
16081932
-
1540
-
N-formylmethionine
N-Formylmethionine
ME467106
439750
C03145
1543.8
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME466608
9547069
-
1544
-
1-palmitoyl-GPS (16:0)*
LPS 16:0/0:0
ME466611
9547100
-
1551
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME466600
9547071
-
1554
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME466552
-
-
1558
-
behenoylcarnitine (C22)*
CAR 22:0
ME466792
-
-
1561
-
pheophorbide A
Pheophorbide a
ME467183
5323510
C18021
1562
-
isovalerate
Isovaleric acid
ME466989
10430
C08262
1564
-
N-acetylalanine
N-Acetylalanine
ME467063
88064
C02847
1564.8
-
tyramine O-sulfate
Tyramine-O-sulfate
ME467294
153005
-
1565
-
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME466551
-
-
1566
-
2,4,6-trihydroxybenzoate
2,4,6-Trihydroxybenzoic acid
ME466621
66520
-
1574
-
N-methyltaurine
N-Methyltaurine
ME467121
-
-
1576
-
1,7-dimethylurate
1,7-Dimethyluric acid
ME466565
91611
C16356
1578.6
-
linoleamide (18:2n6)
Linoleamide
ME467008
6435901
-
1580
-
acesulfame
Acesulfame
ME466750
-
-
1581
-
2'-deoxyuridine
Deoxyuridine
ME466637
13712
C00526
1586
-
theobromine
Theobromine
ME467275
5429
C07480
1600
-
inosine
Inosine
ME466981
6021
C00294
1602.1
-
lignoceroylcarnitine (C24)*
CAR 24:0
ME467007
-
-
1603
-
proline
Proline
ME467195
145742
C00148
1603
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME466613
497299
-
1606
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME466680
87
C06001
1619
-
vanillactate
Vanillactic acid
ME467314
160637
-
1625
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME466614
9547068
-
1626
-
4-methylthio-2-oxobutanoate
2-Oxo-4-methylthiobutanoic acid
ME466715
473
C01180
1635
-
tyrosylglycine
Tyr-Gly
ME467297
259323
-
1635
-
retinol (Vitamin A)
Retinol
ME467211
445354
C00473
1636
-
orotate
Orotic acid
ME467148
967
C00295
1638.1
-
palmitoyl ethanolamide
Palmitoyl-EA
ME467157
4671
C16512
1643
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME466553
-
-
1649
-
cerotoylcarnitine (C26)*
CAR 26:0
ME466823
-
-
1649
-
2-methylserine
2-Methylserine
ME466654
94309
-
1652
-
thymine
Thymine
ME467283
1135
C00178
1654
-
oleoyl ethanolamide
Oleoyl-EA
ME467139
5283454
-
1661
-
palmitic amide
Palmitamide
ME467152
69421
-
1661
-
pantothenate
Pantothenic acid
ME467165
6613
C00864
1667
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME466664
10394
C01744
1670
-
1,3-dimethylurate
1,3-Dimethyluric acid
ME466563
70346
-
1671.4
-
allantoin
Allantoin
ME466761
204
C02350
1672
-
nicotinate
Nicotinic acid
ME467112
938
C00253
1673
-
2-piperidinone
2-Piperidinone
ME466659
12665
-
1675
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME466631
181670
-
1677
-
N-acetyltyrosine
N-Acetyltyrosine
ME467097
68310
-
1680
-
3-hydroxyhippurate
3-Hydroxyhippuric acid
ME466679
450268
-
1687
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME466711
979
C01179
1690.1
-
N-acetylproline
N-Acetyl-proline
ME467087
322640
-
1695
-
alanine
Alanine
ME466759
5950
C00041
1700
-
N-acetylvaline
N-Acetylvaline
ME467098
66789
-
1704
-
indole-3-carboxylic acid
Indole-3-carboxylic acid
ME466975
69867
C19837
1708.8
-
1,2,3-benzenetriol sulfate (2)
-
ME466556
-
-
1709
-
5-acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME466718
88299
C16366
1710
-
margaroyl ethanolamide*
Margaroyl-EA
ME467033
-
-
1714
-
valerate
Valeric acid
ME467307
7991
C00803
1718
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME466678
151492
-
1725
-
xylose
Xylose
ME467319
135191
C00181
1727
-
guanosine
Guanosine
ME466951
6802
C00387
1728
-
2'-deoxyguanosine
Deoxyguanosine
ME466634
187790
C00330
1750
-
benzoate
Benzoic acid
ME466793
243
C00180
1750
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME466912
-
-
1750
-
ferulate
trans-Ferulic acid
ME466887
445858
C01494
1755
-
2,4-dihydroxyhydrocinnamate
-
ME466622
96384
-
1759
-
2-oxoarginine*
2-Oxoarginine
ME466657
558
C03771
1760
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME467068
76406
C01073
1762.4
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME466904
92865
C05282
1775
-
5-methyluridine (ribothymidine)
Ribothymidine
ME466737
445408
-
1778.1
-
N-acetylmethionine
N-Acetylmethionine
ME467082
448580
C02712
1787
-
stearoyl ethanolamide
Stearoyl-EA
ME467254
27902
-
1787
-
sebacate (decanedioate)
Sebacic acid
ME467224
5192
C08277
1788
-
ribitol
Ribitol
ME467212
6912
C00474
1789.6
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME466638
164623
-
1800
-
nicotianamine
(R,S,S)-Nicotianamine
ME467109
9882882
C05324
1800
-
arabinose
Arabinose
ME466779
66308
C00216
1804.5
-
pterin
Pterin
ME467200
73000
C00715
1805
-
paraxanthine
Paraxanthine
ME467166
4687
C13747
1810
-
acisoga
Acisoga
ME466752
129397
-
1813
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME466911
111299
-
1825
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME466764
83697
C03264
1840
-
bilirubin (Z,Z)
Bilirubin
ME466799
5280352
C00486
1840
-
theophylline
Theophylline
ME467276
2153
C07130
1870
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME467104
9920500
-
1877
-
formiminoglutamate
Formiminoglutamic acid
ME466889
439233
C00439
1880
-
guanidinosuccinate
Guanidinosuccinic acid
ME466949
97856
C03139
1892
-
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME466650
161227
-
1900
-
pyroglutamine*
Pyroglutamine
ME467206
134508
-
1900
-
beta-alanine
beta-Alanine
ME466794
239
C00099
1905
-
catechol sulfate
Catechol sulfate
ME466817
3083879
C00090
1906
-
homocitrulline
Homocitrulline
ME466965
65072
C02427
1908
-
dihydroorotate
4,5-Dihydroorotic acid
ME466864
648
C00337
1910
-
1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol...
-
ME466579
-
-
1911
-
gamma-tocotrienol
gamma-Tocotrienol
ME466915
5282349
C14155
1918
-
carboxyibuprofen
Carboxyibuprofen
ME466814
10444113
-
1920
-
dihydroferulic acid
Dihydroferulic acid
ME466863
14340
-
1928
-
N-methylpipecolate
N-methyl pipecolic acid
ME467119
-
-
1932
-
arabitol/xylitol
Arabitol
ME466780
-
-
1932.4
-
guanidinoacetate
Guanidoacetic acid
ME466948
763
C00581
1937
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*
PC 18:2/18:3
ME466584
-
-
1939
-
1-methylnicotinamide
1-Methyl nicotinamide
ME466595
10129985
C02918
1940
-
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)
-
ME466557
-
-
1941
-
nicotinamide
Niacinamide
ME467110
936
C00153
1942
-
creatine
Creatine
ME466836
586
C00300
1947
-
isovalerylglycine
Isovalerylglycine
ME466990
546304
-
1950
-
S-methylcysteine
Methylcysteine
ME467233
24417
-
1955
-
choline
Choline
ME466830
305
C00114
1961
-
thymidine
Thymidine
ME467282
5789
C00214
1963.7
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*
PC 18:2/20:4
ME466581
-
-
1969
-
sinapate
Sinapic acid
ME467231
637775
C00482
1973
-
N-acetylserotonin
N-Acetylserotonin
ME467092
903
C00978
1975
-
carnitine
Carnitine
ME466815
10917
C00318
1978
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME466661
91
C11457
1980
-
ectoine
Ectoine
ME466874
126041
C06231
1980
-
1,3,7-trimethylurate
1,3,7-Trimethyluric acid
ME466562
79437
C16361
1985
-
alpha-tocotrienol
alpha-Tocotrienol
ME466769
5282347
C14153
1986
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME466901
440103
-
1986
-
isoleucylglycine
Ile-Gly
ME466987
342532
-
1992
-
N6-formyllysine
-
ME467059
70923
-
1992
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME467240
11433862
-
1998
-
saccharin
Saccharin
ME467219
5143
D01085
1999.7
-
6-hydroxynicotinate
6-Hydroxynicotinic acid
ME466739
72924
C01020
2000
-
cystine
Cystine
ME466843
67678
C00491
2000
-
N-alpha-acetylornithine
N-Acetylornithine
ME467099
439232
C00437
2000
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME467248
-
-
2002
-
4-hydroxycyclohexylcarboxylic acid
4-Hydroxycyclohexylcarboxylic acid
ME466708
151138
C04404
2005
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME466561
5288075
-
2006
-
fructose
Fructose
ME466890
5984
C00095
2022.2
-
guanine
Guanine
ME466950
764
C00242
2032
-
imidazole lactate
Imidazolelactic acid
ME466972
440129
C05568
2040
-
nicotinamide riboside
Nicotinamide riboside
ME467111
439924
C03150
2040
-
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*
MGDG 18:3/0:0/18:3
ME466558
5282287
C13871
2046
-
gamma-aminobutyrate (GABA)
gamma-Aminobutyric acid
ME466899
119
C00334
2048
-
deoxycarnitine
3-Dehydroxycarnitine
ME466851
134
C01181
2052
-
4-imidazoleacetate
Imidazoleacetic acid
ME466712
96215
C02835
2055
-
creatinine
Creatinine
ME466837
588
C00791
2055
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME467062
193270
-
2056
-
pantetheine
Pantetheine
ME467164
439322
C00831
2056
-
2-aminobutyrate
2-Aminobutyric acid
ME466628
439691
C02261
2059
-
cytosine
Cytosine
ME466846
597
C00380
2060
-
1-methylimidazoleacetate
Methylimidazoleacetic acid
ME466594
75810
C05828
2064
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME466693
47
C00671
2064.2
-
N-acetylhistidine
N-Acetylhistidine
ME467079
75619
C02997
2065
-
glycerate
Glyceric acid
ME466927
752
C00258
2070.4
-
valerylglycine
Valerylglycine
ME467308
4737557
-
2071
-
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:...
DGDG 18:2_18:3
ME466582
-
-
2073
-
hydantoin-5-propionic acid
Hydantoin-5-propionic acid
ME466968
782
C05565
2080
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME466813
2572
-
2085
-
cryptochlorogenic acid
-
ME466838
5315599
-
2087
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME467061
-
-
2100
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME467288
1145
C01104
2100
-
caffeine
Caffeine
ME466808
2519
C07481
2106
-
hippurate
Hippuric acid
ME466961
464
C01586
2106.9
-
N-methyl-GABA
4-(Methylamino)butyric acid
ME467116
-
-
2109
-
cytidine
Cytidine
ME466844
6175
C00475
2124
-
cysteinylglycine
Cys-Gly
ME466842
439498
C01419
2132
-
1-methyladenine
1-Methyladenine
ME466589
78821
C02216
2133
-
prolylglycine
Pro-Gly
ME467196
-
-
2136
-
N-acetylcarnosine
N-Acetylcarnosine
ME467071
9903482
-
2141
-
beta-guanidinopropanoate
3-Guanidinopropanoic acid
ME466795
67701
C03065
2145
-
1-methylguanidine
Methylguanidine
ME466591
10111
C02294
2149
-
argininate*
Argininic acid
ME466785
160437
-
2150
-
phenylacetate
Phenyl acetate
ME467172
999
C07086
2150
-
succinimide
Succinimide
ME467260
11439
C07273
2155
-
phenol sulfate
Phenyl hydrogen sulfate
ME467171
74426
C02180
2156
-
behenoyl ethanolamide (22:0)*
Behenoyl-EA
ME466790
3023585
-
2164
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME467056
161466
-
2164
-
adenosine
Adenosine
ME466755
60961
C00212
2169
-
4-methyl-2-oxopentanoate
Ketoleucine
ME466713
70
C00233
2170
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME466922
68662
-
2170
-
7-methylguanine
7-Methylguanine
ME466745
11361
C02242
2175
-
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME466643
10253
C07588
2184
-
pyridoxate
4-Pyridoxic acid
ME467204
6723
C00847
2185
-
erythronate*
Erythronic acid
ME466884
2781043
-
2186
-
2'-deoxycytidine
Deoxycytidine
ME466633
13711
C00881
2193
-
indoleacetate
Indoleacetic acid
ME466976
802
C00954
2200
-
mannose
Mannose
ME467031
18950
C00159
2200
-
pipecolate
Pipecolic acid
ME467189
849
C00408
2200
-
phenyllactate (PLA)
Phenyllactic acid
ME467180
3848
C05607
2208
-
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/...
MGDG 18:2_18:3
ME466583
-
-
2209
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME466668
64956
C05145
2215
-
4-ureidobutyrate
-
ME466716
1571307
-
2217.5
-
5-aminovalerate
5-Aminopentanoic acid
ME466732
138
C00431
2220
-
adenine
Adenine
ME466754
190
C00147
2221
-
3-indoxyl sulfate
Indoxyl sulfate
ME466690
10258
-
2222.2
-
kynurenate
Kynurenic acid
ME466992
3845
C01717
2224
-
N-acetylputrescine
N-Acetylputrescine
ME467088
122356
C02714
2230
-
N-acetyl-S-allyl-L-cysteine
-
ME467090
152467
-
2237
-
N-acetylarginine
N-Acetylarginine
ME467064
67427
C02562
2245
-
2'-deoxyadenosine
Deoxyadenosine
ME466632
13730
C00559
2252
-
biotin
Biotin
ME466803
171548
C00120
2253
-
sedoheptulose
Glucoheptulose
ME467227
5459879
-
2255
-
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*
-
ME466559
-
-
2256
-
delta-tocopherol
delta-Tocopherol
ME466850
92094
C14151
2259
-
mannitol/sorbitol
Sorbitol
ME467030
5780
C01507
2260
-
imidazole propionate
Imidazole propanoate
ME466973
70630
-
2263
-
N6-methyladenosine
N6-Methyladenosine
ME467060
102175
-
2264
-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*
DG 18:3_18:3
ME467011
-
-
2268
-
cysteine s-sulfate
Cysteine-S-sulfate
ME466840
115015
C05824
2273
-
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:...
DGDG 16:0_18:3
ME466603
-
-
2278
-
acetylcarnitine (C2)
CAR 2:0
ME466751
1
C02571
2282
-
trans-urocanate
Urocanic acid
ME467285
736715
C00785
2285
-
indolelactate
Indolelactic acid
ME466978
92904
C02043
2286
-
N-acetylhistamine
N-Acetylhistamine
ME467078
69602
C05135
2287
-
N-propionylmethionine
N-propionylmethionine
ME467132
103692
-
2290
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME467156
9939965
-
2290
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME467261
-
-
2291
-
riboflavin (Vitamin B2)
Riboflavin
ME467213
493570
C00255
2292
-
valylglutamine
Val-Gln
ME467311
5253209
-
2295
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME466748
69820
-
2300.4
-
pyrraline
Pyrraline
ME467207
-
-
2304
-
galactitol (dulcitol)
Galactitol
ME466895
11850
C01697
2309.7
-
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME466717
1136
C04294
2310
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME467241
-
-
2312
-
sphingomyelin (d18:2/23:1)*
SM 18:2;O2/23:1
ME467249
-
-
2315
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME466705
500
C01035
2320
-
N-acetylisoleucine
N-Acetylisoleucine
ME467080
2802421
-
2325
-
phenylacetylglutamate
N-Phenylacetylglutamic acid
ME467173
11579826
-
2325
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME467174
92258
C04148
2330
-
sphingomyelin (d18:1/19:0, d19:1/18:0)*
SM 37:1;O2
ME467242
-
-
2330
-
glucose
Glucose
ME466919
79025
C00031
2342
-
pyridoxal
Pyridoxal
ME467202
1050
C00250
2343
-
N-formylphenylalanine
N-Formylphenylalanine
ME467107
759256
-
2360
-
sphingomyelin (d18:0/18:0, d19:0/17:0)*
SM 36:0;O2
ME467239
-
-
2362
-
phenylacetylglycine
Phenylacetylglycine
ME467175
68144
C05598
2375
-
2-oxindole-3-acetate
2-Oxindole-3-acetate
ME466656
3080590
-
2378
-
sphingomyelin (d18:1/20:1, d18:2/20:0)*
SM 38:2;O2
ME467244
-
-
2383
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME466914
-
-
2384
-
threonate
Threonic acid
ME467279
151152
C01620
2384
-
N-acetyl-cadaverine
N-Acetylcadaverine
ME467070
-
-
2385
-
flavin mononucleotide (FMN)
FMN
ME466888
710
C00061
2390
-
N-acetylleucine
N-Acetylleucine
ME467081
70912
C02710
2400
-
gabapentin
Gabapentin
ME466894
-
D00332
2407.4
-
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*
-
ME466560
6535011
-
2415
-
ergosterol
Ergosterol
ME466881
444679
C01694
2420
-
ribonate
Ribonic acid
ME467214
5460677
C01685
2425
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*
DG 18:2_18:3
ME467015
-
-
2426
-
tyrosine
Tyrosine
ME467295
6057
C00082
2430
-
quinate
Quinic acid
ME467209
6508
C00296
2432.9
-
2-methylmalonylcarnitine (C4-DC)
CAR DC3:0;2Me
ME466653
53481628
-
2440
-
undecanedioate
Undecanedioic acid
ME467298
15816
-
2440
-
pyridoxine (Vitamin B6)
Pyridoxine
ME467205
1054
C00314
2442
-
valylglycine
Val-Gly
ME467312
136487
-
2444
-
ceramide (d18:1/14:0, d16:1/16:0)*
Cer 36:1;O2
ME466819
-
-
2477
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*
DG 18:2_18:3
ME467016
-
-
2478
-
valine
Valine
ME467310
6287
C00183
2479
-
N-palmitoyl-sphingadienine (d18:2/16:0)*
Cer 18:2;O2/16:0
ME467126
-
-
2490
-
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0...
DGDG 16:0_18:2
ME466604
-
-
2498
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME467058
-
-
2500
-
piperidine
Piperidine
ME467190
8082
C01746
2500
-
indoleacrylate
Indoleacrylic acid
ME466977
15030923
-
2511
-
allo-threonine
Allothreonine
ME466762
99289
C05519
2511.1
-
phenylpyruvate
Phenylpyruvic acid
ME467182
997
C00166
2517.6
-
galactosylglycerol*
Galactosylglycerol
ME466897
16048618
-
2518
-
4-cholesten-3-one
Cholestenone
ME466704
91477
C00599
2520
-
alpha-tocopherol
alpha-Tocopherol
ME466767
14985
C02477
2522
-
methionine
Methionine
ME467035
6137
C00073
2526
-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)
LacCer 18:1;O2/16:0
ME466997
-
-
2527
-
3-(2-hydroxyphenyl)propionate
3-(2-Hydroxyphenyl)propanoic acid
ME466660
873
C01198
2530
-
saccharopine
Saccharopine
ME467220
160556
C00449
2530
-
tyramine
Tyramine
ME467293
5610
C00483
2540
-
N-acetylpyrraline
Dehydroepiandrosterone
ME467089
-
-
2545
-
serotonin
Serotonin
ME467230
5202
C00780
2550
-
glutamyl-meso-diaminopimelate
-
ME466925
-
-
2555
-
diaminopimelate
2,6-Diaminopimelic acid
ME466857
439283
C00666
2569
-
isocaproate
Isocaproic acid
ME466985
12587
-
2570
-
indolin-2-one
Indolin-2-one
ME466980
321710
C12312
2575
-
3-methylglutaconate
3E-Methylglutaconic acid
ME466695
1551553
-
2579.6
-
S-methylmethionine
S-Methylmethionine
ME467234
458
C05319
2584
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME467086
74839
C03519
2597
-
2-isopropylmalate
2-Isopropylmalic acid
ME466649
77
C02504
2605
-
N6-acetyllysine
N6-Acetyllysine
ME467055
92832
C02727
2612.6
-
leucylglutamine*
Leu-Gln
ME467004
4305457
-
2620
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME466942
-
-
2623
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*
DG 18:2_20:4
ME467013
-
-
2624
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME467096
700653
C03137
2630
-
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME467250
-
-
2635
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME466910
7009567
-
2640
-
2-aminophenol
2-Aminophenol
ME466630
5801
C01987
2644
-
N-pentadecanoyl-sphingosine (d18:1/15:0)*
-
ME467130
-
-
2645
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME466605
-
-
2653
-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*
DG 16:1_18:2
ME467155
-
-
2664
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME466781
-
-
2664.6
-
4-methylcatechol sulfate
-
ME466714
-
-
2665
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...
SM 40:2;O2
ME467246
-
-
2666
-
3-methylhistidine
3-Methylhistidine
ME466698
64969
C01152
2670
-
tryptophan betaine
Lenticin
ME467291
442106
C09213
2673
-
3-methylglutarylcarnitine (2)
CAR DC5:0;3Me
ME466697
128145
-
2675
-
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME467243
-
-
2685
-
lanosterol
Lanosterol
ME466999
246983
C01724
2687
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME467017
-
-
2689
-
N6-carboxyethyllysine
N(6)-(2-Carboxyethyl)-lysine
ME467057
-
-
2695
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME466675
1662
C03761
2700
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME466766
51
C00026
2700
-
alpha-tocopherol acetate
Tocopherol acetate
ME466768
2117
C13202
2702
-
dimethylmalonic acid
Dimethylmalonic acid
ME466867
11686
-
2702
-
cholesterol
Cholesterol
ME466829
11025495
C00187
2707
-
caproate (6:0)
Caproic acid
ME466811
8892
C01585
2713.7
-
diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [...
DG 30:1
ME466854
-
-
2716
-
tyrosol
Tyrosol
ME467296
10393
C06044
2716
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME466903
-
-
2717
-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*
DG 34:3
ME466856
-
-
2733
-
glycylvaline
Gly-Val
ME466947
97417
-
2734
-
kynurenine
Kynurenine
ME466993
161166
C00328
2739
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME466907
7017195
-
2740
-
pimelate (heptanedioate)
Pimelic acid
ME467188
385
C02656
2745
-
gulonate*
Gulonic acid
ME466952
9794176
-
2750
-
1-methylhistidine
1-Methylhistidine
ME466593
92105
C01152
2755
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*
DG 18:2_18:2
ME467018
-
-
2760
-
leucylglycine
Leu-Gly
ME467005
79070
-
2778
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME466902
65254
-
2784
-
ethylmalonate
Ethylmalonic acid
ME466886
11756
-
2785
-
rosmarinate
Rosmarinic acid
ME467217
5281792
C01850
2785
-
5-hydroxylysine
5-Hydroxylysine
ME466736
1029
C16741
2790
-
N-methylphenylalanine
-
ME467118
4657542
-
2790
-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...
SM 39:1;O2
ME467245
-
-
2793
-
2,3-dimethylsuccinate
-
ME466620
11848
-
2800
-
isoleucine
Isoleucine
ME466986
6306
C00407
2800
-
methylsuccinate
Methylsuccinic acid
ME467042
10349
-
2800
-
ornithine
Ornithine
ME467147
6262
C00077
2800
-
leucylalanine
Leu-Ala
ME467003
259321
-
2801
-
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*
DG 18:1_18:3
ME467142
-
-
2819
-
arginine
Arginine
ME466786
232
C00062
2825
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME467054
440120
C03793
2825
-
3-methylglutarate/2-methylglutarate
Methylglutaric acid
ME466696
-
-
2832
-
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*
DG 16:0_18:3
ME467160
-
-
2834
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME466671
123979
-
2840
-
coprostanol
Coprostanol
ME466834
-
-
2850
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME466865
123831
C03626
2850
-
lysine
Lysine
ME467022
5962
C00047
2850
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME466700
107
C05629
2860
-
leucine
Leucine
ME467002
6106
C00123
2864
-
3-methyladipate
3-Methyladipic acid
ME466694
12292
-
2865
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME466824
10981970
-
2866
-
campesterol
Campesterol
ME466809
173183
C01789
2873
-
stigmasterol
Stigmasterol
ME467257
5280794
C05442
2875
-
homoserine
Homoserine
ME466966
12647
C00263
2875.8
-
cinnamate
trans-Cinnamic acid
ME466831
444539
C00423
2878
-
phenylalanine
Phenylalanine
ME467177
6140
C00079
2878
-
homoarginine
Homoarginine
ME466964
9085
C01924
2882
-
p-cresol sulfate
p-Cresol sulfate
ME467168
4615423
C01468
2890
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME467128
5283564
-
2893
-
phenylalanylglycine
Phe-Gly
ME467179
98207
-
2898
-
glutarate (pentanedioate)
Glutaric acid
ME466926
743
C00489
2900
-
hexanoylglycine
Hexanoylglycine
ME466960
99463
-
2900
-
phenylalanylalanine
Phe-Ala
ME467178
-
-
2909
-
gluconate
Gluconic acid
ME466918
10690
C00257
2922
-
anserine
Anserine
ME466777
112072
C01262
2924
-
tryptophylglycine
Trp-Gly
ME467292
263471
-
2930
-
LAHSA (18:2/OH-18:0)*
-
ME466998
-
-
2936
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME466908
14253342
-
2940
-
carnosine
Carnosine
ME466816
439224
C00386
2942
-
phenylpropionylglycine
Phenylpropionylglycine
ME467181
152323
-
2945.3
-
pyridoxamine
Pyridoxamine
ME467203
1052
C00534
2975
-
tryptophan
Tryptophan
ME467290
6305
C00078
2986
-
dodecanedioate
Dodecanedioic acid
ME466872
12736
C02678
2990
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME466909
151023
-
2991
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME466639
193530
C02360
3000
-
adipate
Adipic acid
ME466756
196
C06104
3000
-
glycylisoleucine
Gly-Ile
ME466945
88079
-
3002
-
glutaminylleucine
Gln-Leu
ME466924
-
-
3009
-
putrescine
Putrescine
ME467201
1045
C00134
3027
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME467247
-
-
3033
-
histamine
Histamine
ME466962
774
C00388
3035
-
cadaverine
Cadaverine
ME466805
273
C01672
3036
-
1-methylhistamine
1-Methylhistamine
ME466592
3614
C05127
3040
-
thiamin (Vitamin B1)
Thiamine
ME467277
1130
C00378
3050
-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
HexCer 18:1;O2/18:0
ME466943
-
-
3053
-
beta-sitosterol
Sitosterol
ME466798
222284
C01753
3054
-
alanylleucine
Ala-Leu
ME466760
259583
-
3055
-
ceramide (d18:1/17:0, d17:1/18:0)*
Cer 35:1;O2
ME466820
-
-
3055
-
agmatine
Agmatine
ME466758
199
C00179
3057
-
diacylglycerol (14:0/18:1, 16:0/16:1) [1]*
DG 32:1
ME466855
-
-
3057
-
glycylleucine
Gly-Leu
ME466946
92843
C02155
3059
-
tryptamine
Tryptamine
ME467289
1150
C00398
3062
-
phenethylamine
Phenylethylamine
ME467170
1001
C05332
3065
-
threonylphenylalanine
Thr-Phe
ME467281
-
-
3077
-
methylmalonate (MMA)
Methylmalonic acid
ME467039
487
C02170
3078.4
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*
DG 16:0_18:2
ME467161
9543695
-
3080
-
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME466791
-
-
3083
-
fumarate
Fumaric acid
ME466893
444972
C00122
3084
-
galactonate
Galactonic acid
ME466896
128869
C00880
3085
-
alpha-CEHC sulfate
alpha-CEHC sulfate
ME466763
-
-
3090
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME467127
5283572
-
3090
-
sucrose
Sucrose
ME467263
5988
C00089
3092
-
N1,N12-diacetylspermine
N1,N12-Diacetylspermine
ME467049
132680
C03413
3105
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME467143
-
-
3115
-
2,8-quinolinediol
Quinoline-2,8-diol
ME466623
97250
C06342
3133
-
valylleucine
Val-Leu
ME467313
352039
-
3138
-
sucralose
Sucralose
ME467262
71485
C12285
3140
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME467066
65065
C01042
3143
-
succinate
Succinic acid
ME467259
1110
C00042
3149
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME466629
227939
-
3160
-
1-methyl-beta-carboline-3-carboxylic acid
-
ME466590
5406157
-
3190
-
chiro-inositol
1D-chiro-Inositol
ME466826
-
C19891
3191.2
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*
DG 16:0_18:2
ME467162
-
-
3197
-
indolepropionate
3-Indolepropionic acid
ME466979
3744
-
3205
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME467144
-
-
3223
-
glucuronate
Glucuronic acid
ME466920
444791
C00191
3233.3
-
harmane
Harman
ME466953
5281404
C09209
3234
-
maltose
Maltose
ME467027
10991489
C00208
3329.4
-
methyl indole-3-acetate
Indole-3-methyl acetate
ME467038
74706
-
3339
-
liquiritigenin
Liquiritigenin
ME467019
1889
C09762
3345
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME466642
43
C02630
3352.8
-
spermidine
Spermidine
ME467237
1102
C00315
3355
-
N(1)-acetylspermine
N1-Acetylspermine
ME467048
916
C02567
3356
-
lysylleucine
Lys-Leu
ME467023
4682588
-
3370
-
N2-acetyllysine
N(2)-Acetyllysine
ME467053
92907
C12989
3372.6
-
secoisolariciresinol diglucoside
-
ME467226
9917980
-
3380
-
OAHSA (18:1/OH-18:0)*
-
ME467135
-
-
3384
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME467133
5283565
-
3392
-
PAHSA (16:0/OH-18:0)
-
ME467150
-
-
3411
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME466683
26613
-
3446
-
myo-inositol
Myo-inositol
ME467044
892
C00137
3506.3
-
galacturonate
Galacturonic acid
ME466898
84740
C08348
3527.2
-
1,11-undecanedicarboxylate
Tridecanedioic acid
ME466554
10458
-
3530
-
daidzein
Daidzein
ME466847
5281708
C10208
3566
-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*
DG 18:1_18:1
ME467145
-
-
3571
-
heptanoate (7:0)
Heptylic acid
ME466954
8094
C17714
3670
-
hesperetin
Hesperetin
ME466955
72281
C01709
3679
-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*
DG 18:1_18:1
ME467146
-
-
3695
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*
DG 16:0_18:1
ME467163
-
-
3695
-
androstenediol (3beta,17beta) disulfate (1)
4-Androsten-3beta,17beta-diol disulfate
ME466772
10634
C04295
3740
-
genistein
Genistein
ME466916
5280961
C06563
3754
-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*
LacCer 18:1;O2/24:1
ME466996
-
-
3778
-
N-carbamoylaspartate
N-Carbamoylaspartic acid
ME467103
93072
C00438
3800
-
gamma-CEHC
gamma-CEHC
ME466900
133098
-
3843
-
apigenin
Apigenin
ME466778
5280443
C01477
3845.4
-
ceramide (d16:1/24:1, d18:1/22:1)*
Cer 40:2;O2
ME466818
-
-
3850
-
ceramide (d18:2/24:1, d18:1/24:2)*
Cer 42:3;O2
ME466822
-
-
3858
-
hesperidin
Hesperidin
ME466956
10621
C09755
3867
-
pregnen-diol disulfate*
-
ME467193
-
-
3868
-
5alpha-androstan-3beta,17beta-diol disulfate
-
ME466724
242332
C12525
3880
-
N-behenoyl-sphingadienine (d18:2/22:0)*
Cer 18:2;O2/22:0
ME467100
-
-
3911
-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*
Cer 38:1;O2
ME466821
-
-
3920
-
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME466625
134595
C05485
3935
-
secoisolariciresinol
Secoisolariciresinol
ME467225
65373
C18167
3945
-
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME466728
-
-
3962
-
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*
HexCer 18:1;O2/24:1
ME466941
-
-
3990
-
20-hydroxyecdysone
20-Hydroxyecdysone
ME466624
5459840
C02633
4021
-
androstenediol (3beta,17beta) disulfate (2)
4-Androsten-3beta,17beta-diol disulfate
ME466773
10634
C04295
4065
-
p-cresol
P-Cresol
ME467167
2879
C01468
4154
-
valerylphenylalanine
-
ME467309
-
-
4176
-
I-urobilinogen
Mesobilirubinogen
ME466991
26818
C05790
4190
-
5alpha-androstan-3beta,17alpha-diol disulfate
5alpha-Androstan-3beta,17alpha-diol disulfate
ME466722
-
-
4215
-
7,12-diketolithocholate
7,12-Diketolithocholic acid
ME466742
3080560
-
4215
-
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME466574
-
-
4240
-
phenylacetylphenylalanine
N-Phenylacetylphenylalanine
ME467176
47583
-
4260
-
5alpha-androstan-3alpha,17beta-diol disulfate
5alpha-Androstan-3alpha,17beta-diol disulfate
ME466720
-
-
4275
-
tetrahydrodeoxycorticosterone disulfate
-
ME467274
-
-
4300
-
indole
Indole
ME466974
798
C00463
4302
-
5alpha-pregnan-3(alpha or beta),20beta-diol disulf...
-
ME466727
5127902
-
4310
-
enterodiol
Enterodiol
ME466878
123725
-
4327
-
ursodeoxycholate sulfate (1)
-
ME467305
-
-
4328
-
caprylate (8:0)
Caprylic acid
ME466812
379
C06423
4362
-
11-ketoetiocholanolone sulfate
-
ME466569
-
-
4420
-
androstenediol (3beta,17beta) monosulfate (1)
-
ME466774
-
-
4500
-
androstenediol (3beta,17beta) monosulfate (2)
-
ME466775
-
-
4500
-
enterolactone
Enterolactone
ME466879
10685477
-
4515
-
ursodeoxycholate sulfate (2)
-
ME467306
-
-
4538
-
5alpha-androstan-3alpha,17alpha-diol disulfate
-
ME466719
-
-
4547
-
cholate sulfate
-
ME466828
-
-
4557
-
hexadecanedioate
Hexadecanedioic acid
ME466957
10459
C19615
4615
-
L-urobilin
L-Urobilin
ME467021
5280818
C05793
4624
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME466677
26612
-
4634.7
-
5alpha-androstan-3beta,17beta-diol monosulfate (1)
-
ME466725
-
-
4635
-
ursocholate
Ursocholic acid
ME467303
-
-
4648
-
5alpha-androstan-3beta,17beta-diol monosulfate (2)
-
ME466726
-
-
4685
-
androstenediol (3alpha, 17alpha) monsulfate (2)
-
ME466771
-
-
4712
-
dehydroisoandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME466848
12594
C04555
4745
-
glycocholenate sulfate*
Glycocholenate sulfate
ME466938
-
-
4750
-
taurocholenate sulfate
Taurocholenate sulfate
ME467270
-
-
4750
-
17alpha-hydroxypregnenolone 3-sulfate
-
ME466575
152971
-
4800
-
5alpha-androstan-3beta,17alpha-diol monosulfate (1...
-
ME466723
-
-
4806
-
isoursodeoxycholate
Isoursodeoxycholic acid
ME466988
127601
C17662
4809
-
7-ketodeoxycholate
7-Ketodeoxycholic acid
ME466743
188292
-
4821
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME466641
21488
-
4840
-
epiandrosterone sulfate
Epiandrosterone
ME466880
-
C07635
4855
-
12-dehydrocholate
12-Ketochenodeoxycholic acid
ME466571
94235
-
4871
-
skatol
3-Methylindole
ME467232
6736
C08313
4875
-
deoxycholic acid sulfate
-
ME466853
-
-
4880
-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...
-
ME466721
-
-
4925
-
5alpha-pregnan-3beta,20alpha-diol monosulfate (1)
-
ME466729
-
-
4928
-
pregn steroid monosulfate*
Pregnenolone sulfate
ME467192
-
-
5000
-
glycolithocholate sulfate*
Sulfoglycolithocholic acid
ME466940
72222
C11301
5011
-
androsterone sulfate
5alpha-Androstane-3alpha-ol-17-one sulfate
ME466776
159663
-
5022
-
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME467273
440071
C03642
5026.7
-
6-oxolithocholate
6-Ketolithocholic acid
ME466740
164960
-
5033
-
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME466944
12310288
-
5033
-
octadecanedioate
Octadecanedioic acid
ME467136
70095
-
5043
-
hyocholate
Hyocholic acid
ME466970
92805
C17649
5046
-
3-dehydrocholate
3-Dehydrocholic acid
ME466673
159655
-
5050
-
ursodeoxycholate
Ursodeoxycholic acid
ME467304
31401
C07880
5055
-
cortolone
Cortolone
ME466835
160499
C05481
5059
-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
-
ME466730
-
-
5060
-
7-ketolithocholate
7-Ketolithocholic acid
ME466744
444262
-
5082
-
caprate (10:0)
Capric acid
ME466810
2969
C01571
5090.7
-
pregnenolone sulfate
Pregnenolone sulfate
ME467194
105074
-
5100
-
12,13-DiHOME
12,13-DiHOME
ME466570
10236635
C14829
5137
-
taurocholate
Taurocholic acid
ME467269
6675
C05122
5150
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME466932
-
-
516
-
glycocholate
Glycocholic acid
ME466937
10140
C01921
5163
-
cholate
Cholic acid
ME466827
221493
C00695
5165
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME466681
94216
-
5175
-
soyasaponin III
Soyasaponin III
ME467236
-
C19865
5176
-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)
-
ME466731
-
-
5180
-
9,10-DiHOME
9,10-DiHOME
ME466749
9966640
C14828
5180
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME466931
439964
C03274
520
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME466670
92997
-
5205
-
2-hydroxylaurate
2-Hydroxylauric acid
ME466644
97783
-
5211
-
undecanoate (11:0)
Undecylic acid
ME467299
8180
C17715
5219.2
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME466733
5312378
-
5224
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME466936
12544
C05466
5236.1
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME467268
387316
C05465
5250
-
taurodeoxycholate
Taurodeoxycholic acid
ME467271
2733768
C05463
5257.4
-
chenodeoxycholate
Chenodeoxycholic acid
ME466825
10133
C02528
5264
-
13-HODE + 9-HODE
HODE
ME466572
43013
-
5275
-
glycodeoxycholate
Glycodeoxycholic acid
ME466939
3035026
C05464
5281
-
deoxycholate
Deoxycholic acid
ME466852
222528
C04483
5294
-
laurate (12:0)
Lauric acid
ME467000
3893
C02679
5300
-
steviol
Steviol
ME467256
452967
C20212
5327
-
3-hydroxymyristate
3-Hydroxytetradecanoic acid
ME466682
16064
-
5335
-
taurolithocholate
Taurolithocholic acid
ME467272
10595
C02592
5345
-
myristoleate (14:1n5)
Myristoleic acid
ME467046
5281119
C08322
5346.9
-
dehydrolithocholate
Dehydrolithocholic acid
ME466849
159623
-
5360
-
2-hydroxymyristate
2-Hydroxymyristic acid
ME466645
1563
C13790
5364
-
10-hydroxystearate
Rosilic acid
ME466567
9561835
-
5370
-
lithocholate
Lithocholic acid
ME467020
9903
C03990
5372
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME466669
-
-
5398
-
inositol triphosphate
Inositol 1,3,4-trisphosphate
ME466982
439455
C01243
541
-
methylphosphate
Methanolphosphate
ME467041
13130
-
544
-
myristate (14:0)
Myristic acid
ME467045
11005
C06424
5440
-
eicosapentaenoate (EPA; 20:5n3)
Eicosapentaenoic acid
ME466875
446284
C06428
5450
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME467010
5280934
C06426
5450
-
palmitoleate (16:1n7)
Palmitoleic acid
ME467153
445638
C08362
5475
-
3-hydroxypalmitate
3-Hydroxyhexadecanoic acid
ME466684
301590
-
5476
-
13-methylmyristate
Isopentadecylic acid
ME466573
151014
-
5499
-
Isobar: fructose 1,6-diphosphate, glucose 1,6-diph...
-
ME466983
-
-
551
-
N-linoleoylglycine
N-linoleoylglycine
ME467114
6433346
-
5510
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME466646
92836
-
5511.2
-
pentadecanoate (15:0)
Pentadecylic acid
ME467169
13849
C16537
5521
-
docosahexaenoate (DHA; 22:6n3)
LPC 22:6
ME466869
445580
C06429
5525
-
arachidonate (20:4n6)
Arachidonic acid
ME466783
444899
C00219
5535
-
linoleate (18:2n6)
Linoleic acid
ME467009
5280450
C01595
5535
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME466566
5312435
-
5555
-
N-palmitoyltaurine
N-Palmitoyl taurine
ME467129
-
-
5560
-
oleanolate
Oleanolic acid
ME467137
10494
C17148
5563
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME466610
-
-
5564
-
(15:2)-anacardic acid
Anacardic acid
ME466550
11824131
-
5565
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME466609
3300276
-
5570
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME466870
6441454
C16513
5571
-
N-palmitoylglycine
N-Palmitoyl glycine
ME467125
151008
-
5580
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME466861
5280581
C03242
5596
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME466601
-
-
5610
-
N-oleoyltaurine
N-Oleoyl taurine
ME467123
6437033
-
5610
-
palmitate (16:0)
Palmitic acid
ME467151
985
C00249
5618
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME466871
6441454
C16513
5624.5
-
N-oleoylglycine
N-Oleoyl glycine
ME467122
6436908
-
5630
-
mead acid (20:3n9)
ETrE(5Z,8Z,11Z)
ME467034
5312531
-
5650
-
oleate/vaccenate (18:1)
Oleic acid
ME467138
-
-
5655
-
3-hydroxystearate
3-Hydroxystearic acid
ME466688
5282907
-
5674
-
adrenate (22:4n6)
Adrenic acid
ME466757
5497181
C16527
5678
-
15-methylpalmitate
15-Methylpalmitic acid
ME467040
17903417
-
5695
-
2-hydroxystearate
2-Hydroxystearic acid
ME466648
69417
C03045
5695
-
3-sulfo-L-alanine
Cysteic acid
ME466701
72886
C00506
570
-
3-carboxyadipate
-
ME466672
222467
-
571
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME466860
6439848
C16525
5730
-
margarate (17:0)
Margaric acid
ME467032
10465
-
5731
-
2-methylcitrate/homocitrate
Homocitric acid
ME466652
-
-
575
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME467067
5255
C12270
575.3
-
phosphate
Phosphoric acid
ME467184
1061
C00009
576
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME466934
3081457
-
577
-
tricarballylate
1,2,3-Propanetricarboxylic acid
ME467286
14925
C19806
578
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME466568
5312513
-
5780
-
N-stearoyltaurine
N-Stearoyl taurine
ME467134
168274
-
5782
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME466616
-
-
5794.3
-
aconitate [cis or trans]
cis-Aconitic acid
ME466753
-
C00417
580
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME466929
754
C00093
580
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME466617
9547101
-
5800
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME466615
-
-
5816
-
citrate
Citric acid
ME466832
311
C00158
582
-
stearate (18:0)
Stearic acid
ME467253
5281
C01530
5872
-
eicosenoate (20:1)
cis-Gondoic acid
ME466876
5282768
-
5950
-
cysteine sulfinic acid
3-Sulfino-alanine
ME466841
109
C00606
597
-
17-methylstearate
Xi-17-Methyloctadecanoic acid
ME466576
3083779
-
5993
-
sedoheptulose-7-phosphate
Sedoheptulose 7-phosphate
ME467228
616
C05382
599.6
-
N-acetylsphingosine
Cer 18:1;O2/2:0
ME467093
5497136
C00195
6000
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME466868
5282807
C16533
6034
-
digalacturonic acid
Digalacturonic acid
ME466858
6857565
C02273
603.5
-
nonadecanoate (19:0)
Nonadecylic acid
ME467124
12591
C16535
6068
-
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME466602
-
-
6094
-
malonate
Malonic acid
ME467025
867
C00383
612
-
linoleoyl ethanolamide
Linoleoyl-EA
ME467012
5283446
-
6150
-
tartarate
Tartaric acid
ME467266
444305
C00898
615.3
-
malate
Malic acid
ME467024
525
C00149
615.6
-
sulfate*
Sulfate
ME467264
1118
C00059
616
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME466586
11988421
C04100
6160
-
1-pentadecanoylglycerol (15:0)
MG 15:0
ME466612
190750
-
6200
-
1-linolenoylglycerol (18:3)
MG 18:3
ME466580
53480978
-
6214
-
2-linoleoylglycerol (18:2)
MG 18:2
ME466651
5365676
-
6250
-
arachidate (20:0)
Arachidic acid
ME466782
10467
C06425
6295
-
quinolinate
Quinolinic acid
ME467210
1066
C03722
630
-
N-butyroyl-sphingosine (d18:1/4:0)
Cer 18:1;O2/4:0
ME467101
5702612
-
6300
-
erucate (22:1n9)
cis-Erucic acid
ME466882
5281116
C08316
6355.6
-
N-glycolylneuraminate
N-Glycoloylneuraminic acid
ME467108
123802
C03410
636
-
2-aminoadipate
alpha-Aminoadipic acid
ME466627
469
C00956
639.2
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME466658
123409
-
6400
-
3-hydroxysuberate
3-Hydroxysuberic acid
ME466689
22328017
-
644
-
lactobionate
Lactobionic acid
ME466995
7314
-
645
-
1-linoleoylglycerol (18:2)
MG 18:2
ME466585
5283469
-
6477
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME466655
5319879
-
6500
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME466606
14900
-
6550
-
1-margaroylglycerol (17:0)
MG 17:0
ME466588
107036
-
6571
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME466930
123874
C01233
659
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME467085
439197
C00270
660
-
taurine
Taurine
ME467267
1123
C00245
660
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME466598
5283468
-
6650
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME466933
71920
C00670
672
-
1-dihomo-linoleoylglycerol (20:2)
MG 20:2
ME466578
-
-
6800
-
choline phosphate
Choline phosphate
ME467185
1014
C00588
700
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME467073
-
-
715
-
3,4-dihydroxybenzoate
Protocatechuic acid
ME466665
72
C00230
729
-
pyruvate
Pyruvic acid
ME467208
1060
C00022
732.4
-
5-oxoproline
Pyroglutamic acid
ME466738
7405
C01879
738.5
-
fucose
Fucose
ME466892
19466
C01018
750
-
maltitol/lactitol/cellobiotol/palatinol
-
ME467026
-
-
750
-
histidine
Histidine
ME466963
6274
C00135
755.9
-
urate
Uric acid
ME467301
1175
C00366
757.1
-
glycerol
Glycerol
ME466928
753
C00116
758
-
N-acetyl-beta-glucosaminylamine
N-Acetyl-beta-glucosaminylamine
ME467069
439454
C01239
759
-
cytidine 2',3'-cyclic monophosphate
2',3' cyclic CMP
ME466845
417654
C02354
769
-
erythrose
Erythrose
ME466885
94176
C01796
780
-
N-acetylasparagine
N-Acetylasparagine
ME467065
99715
-
785
-
pseudouridine
Pseudouridine
ME467199
15047
C02067
800
-
salicylate
Salicylic acid
ME467221
338
C00805
802
-
suberate (octanedioate)
Suberic acid
ME467258
10457
C08278
804.3
-
N-acetylserine
N-Acetylserine
ME467091
65249
-
811
-
maltotriose
Maltotriose
ME467029
439586
C01835
812
-
fucitol
Fucitol
ME466891
3429
-
816.1
-
diglycerol
Diglycerol
ME466859
42953
-
818
-
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME466706
135
C00156
820
-
N-acetylthreonine
N-Acetylthreonine
ME467095
152204
-
821.6
-
N-acetylglycine
N-Acetylglycine
ME467077
10972
-
826
-
1,3-propanediol
Propane-1,3-diol
ME466564
10442
C02457
832
-
N-acetylglutamine
N-Acetylglutamine
ME467076
182230
C02716
845
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME466647
11970
C05852
858.6
-
N-acetylmuramate
N-Acetylmuramic acid
ME467084
5462244
C02713
860
-
caffeic acid sulfate
-
ME466807
-
-
870
-
3-ureidopropionate
Ureidopropionic acid
ME466702
111
C02642
875
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME467083
193368
-
880
-
thymidine 5'-monophosphate
TMP
ME467284
9700
C00364
883
-
N-formylanthranilic acid
Formylanthranilic acid
ME467105
101399
C05653
900
-
gentisate
Gentisic acid
ME466917
3469
C00628
905
-
maltotetraose
Maltotetraose
ME467028
446495
C02052
910
-
picolinate
Picolinic acid
ME467187
1018
C10164
910
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME466692
49
C00141
911
-
D-urobilin
D-Urobilin
ME466873
6276321
C05795
935
-
N-acetylcitrulline
N-Acetylcitrulline
ME467072
656979
C15532
940
-
8-hydroxyguanine
8-Hydroxyguanine
ME466747
65154
C20155
951
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME466741
3014237
-
964.5
-
3-hydroxyphenylacetate sulfate
-
ME466686
-
-
969
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME466674
188979
-
975
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME467149
514186
-
990
-
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