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Return to study ST001866 main page
Analysis: GC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME428991
43
C02630
1576
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME429010
51
C00026
1779
-
2-oxoadipate
Oxoadipic acid
ME428993
71
C00322
1676
-
acetylphosphate
Acetylphosphate
ME429003
186
C00227
1263
-
adenine
Adenine
ME429004
190
C00147
1804.2
-
adipate
Adipic acid
ME429005
196
C06104
1520
-
allantoin
Allantoin
ME429008
204
C02350
1809.8
-
benzoate
Benzoic acid
ME429018
243
C00180
1291.5
-
citrate
Citric acid
ME429026
311
C00158
1763.4
-
salicylate
Salicylic acid
ME429084
338
C00805
1524
-
pimelate (heptanedioate)
Pimelic acid
ME429077
385
C02656
1602.9
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME428994
441
C01089
1203.5
-
malate
Malic acid
ME429057
525
C00149
1502
-
gulono-1,4-lactone
D-Gulonolactone
ME429048
608
C01040
1862
-
glutamate
Glutamic acid
ME429039
611
C00025
1836.8
-
lactate
Lactic acid
ME429055
612
C00186
1102.8
-
5,6-dihydrouracil
Dihydrouracil
ME429001
649
C00429
1505.2
-
1,3-dihydroxyacetone
Dihydroxyacetone
ME428981
670
C00184
1263
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME428985
677
C04039
1422
-
glycerate
Glyceric acid
ME429041
752
C00258
1360.7
-
glycerol
Glycerol
ME429042
753
C00116
1311
-
glycerol 3-phosphate (G3P)
sn-Glycero-3-phosphate
ME429044
754
C00093
1719.7
-
hypoxanthine
Hypoxanthine
ME429049
790
C00262
1759.2
-
indolepyruvate
Indolepyruvate
ME429051
803
C00331
2066
-
beta-hydroxypyruvate
Hydroxypyruvic acid
ME429020
964
C00168
1425.1
-
orotate
Orotic acid
ME429072
967
C00295
1709.6
-
phosphate
Phosphoric acid
ME429076
1061
C00009
1307.7
-
succinate
Succinic acid
ME429090
1110
C00042
1348
-
uracil
Uracil
ME429093
1174
C00106
1370.4
-
xanthine
Xanthine
ME429095
1188
C00385
1889.9
-
glycerol 2-phosphate
sn-Glycero-2-phosphate
ME429043
2526
C02979,D01488
1691.8
-
lysine
Lysine
ME429056
5962
C00047
1910
-
fructose
Fructose
ME429033
5984
C00095
1758
-
mannitol
Mannitol
ME429058
6251
C00392
1839
-
ornithine
Ornithine
ME429071
6262
C00077
1940.3
-
xylitol
Xylitol
ME429096
6912
C00379
1677.6
-
methyl-4-hydroxybenzoate
Methylparaben
ME429060
7456
D01400
1515
-
3-hydroxypyridine
3-Hydroxypyridine
ME428996
7971
-
1187.1
-
2-ethylhexanoate
alpha-Ethylcaproic acid
ME428988
8697
-
1210.5
-
4-hydroxybutyrate (GHB)
4-Hydroxybutyric acid
ME428999
10413
C00989
1277
-
arachidate (20:0)
Arachidic acid
ME429015
10467
C06425
2071.2
-
N-acetylglycine
N-Acetylglycine
ME429065
10972
-
1396.4
-
2-hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME428992
11671
-
1107.5
-
isosorbide
-
ME429054
12597
D00347
1522
-
methylphosphate
Methanolphosphate
ME429062
13130
-
1221
-
pentadecanoate (15:0)
Pentadecylic acid
ME429075
13849
C16537
1853.5
-
alpha-tocopherol
alpha-Tocopherol
ME429011
14985
C02477
2305.4
-
methyl-alpha-glucopyranoside
-
ME429061
64947
C04942,C02603
1809
-
glucuronate
Glucuronic acid
ME429038
65041
C00191
1886.5
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME429064
65065
C01042
1648.5
-
N-acetylserine
N-Acetylserine
ME429067
65249
-
1526
-
arabinose
Arabinose
ME429012
66308
C00181
1631.6
-
1,3-dipalmitoylglycerol
DG 16:0_16:0
ME428982
68149
-
2637
-
ribulose
L-Ribulose
ME429083
79021
C00309
1662
-
glucose
Glucose
ME429036
79025
C00031
1866.8
-
indolelactate
Indolelactic acid
ME429050
92904
C02043
1964.9
-
arabitol
Arabitol
ME429013
94154
C00474
1687.5
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME429009
99823
-
1208
-
1,2-dipalmitoylglycerol
DG 16:0_16:0
ME428979
99931
-
2595
-
2-(4-hydroxyphenyl)propionate
4-Hydroxyphenyl-2-propionic acid
ME428986
102526
C03080
1635
-
sorbitol
Sorbitol
ME429088
107428
C00794
1843
-
pyruvate
Pyruvic acid
ME429080
107735
C00022
1130.6
-
arabonate
Arabinonic acid
ME429014
122045
-
1736
-
threonate
Threonic acid
ME429091
151152
C01620
1560.7
-
mannose
Mannose
ME429059
161658
C00159
1753.5
-
campesterol
Campesterol
ME429022
173183
C01789
2353
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME428989
193530
C02360
1653
-
beta-sitosterol
Sitosterol
ME429021
222284
C01753
2380.8
-
2-hydroxybutyrate (AHB)
2-Hydroxybutyric acid
ME428990
440864
C05984
1169.4
-
oleate (18:1n9)
Oleic acid
ME429070
445639
C00712
1984.4
-
7-beta-hydroxycholesterol
7beta-Hydroxycholesterol
ME429002
473141
C03594
2340
-
pyrophosphate (PPi)
Pyrophosphate
ME429079
644102
C00013
1642.3
-
erythronate*
Erythronic acid
ME429030
2781043
-
1546.9
-
fucose
Fucose
ME429034
3034656
C00382
1682.2
-
glutarate (pentanedioate)
Glutaric acid
ME429040
4418048
C00489
1433.6
-
N-glycolylneuraminate
N-Glycoloylneuraminic acid
ME429069
4603312
C03410
2131
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME429000
4693933
C00642
1630.6
-
cis-vaccenate (18:1n7)
cis-Vaccenic acid
ME429025
5282761
C08367
1987
-
ribose
Ribose
ME429082
5311110
C00121
1652
-
n-Butyl Oleate
N-Butyl Oleate
ME429068
5354342
-
2045
-
erucamide
13Z-Docosenamide
ME429028
5365371
-
2205.7
-
erythrulose
Erythrulose
ME429031
5460032
-
1496
-
cholesterol
Cholesterol
ME429024
6432564
C00187
2316.9
-
stearoyl sphingomyelin
SM 18:1;O2/18:0
ME429089
6453725
C00550
2645
-
xylonate
Xylonic acid
ME429097
6602431
C00502,C05411
1722
-
palmitoyl sphingomyelin
SM 18:1;O2/16:0
ME429074
9939941
-
2524
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME428995
11966314
C06001
1205
-
1,2-propanediol
1,2-Propanediol
ME428980
-
C00717,C02912,C00583,C01506,C02917
1041
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME428983
-
C07326
1788.7
-
1-methylhistidine
1-Methylhistidine
ME428984
-
C01152
1757.7
-
2-aminobutyrate
2-Aminobutyric acid
ME428987
-
C02261
1537.5
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME428997
-
C00597
1754
-
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME428998
-
C00156
1623.8
-
alanine
Alanine
ME429006
-
C00041
1487.9
-
alanylalanine
Ala-Ala
ME429007
-
C00993
1379.5
-
ascorbate (Vitamin C)
Vitamin C
ME429016
-
C00072
1850.1
-
asparagine
Asparagine
ME429017
-
C00152
1854
-
beta-alanine
beta-Alanine
ME429019
-
C00099
1582.3
-
chiro-inositol
1D-chiro-Inositol
ME429023
-
-
1857
-
dimethylglycine
Dimethylglycine
ME429027
-
C01026
1030
-
erythritol
Erythritol
ME429029
-
C00503
1517.5
-
ethanolamine
Ethanolamine
ME429032
-
C00189
1074
-
fumarate
Fumaric acid
ME429035
-
C00122
1382.1
-
glucose-6-phosphate (G6P)
Glucose 6-phosphate
ME429037
-
C00668
2042.7
-
glycine
Glycine
ME429045
-
C00037
1486.9
-
glycolate (hydroxyacetate)
Glycolic acid
ME429046
-
C00160
1119
-
glycylglycine
Gly-Gly
ME429047
-
C02037
1447.3
-
inositol 1-phosphate (I1P)
Inositol 3-phosphate
ME429052
-
-
2057.8
-
Isobar: ribulose 5-phosphate, xylulose 5-phosphate
-
ME429053
-
-
1935
-
myo-inositol
Myo-inositol
ME429063
-
C00137
1924.9
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME429066
-
C00270
2074.9
-
oxalate (ethanedioate)
Oxalic acid
ME429073
-
C00209
1175.1
-
pinitol
Pinitol
ME429078
-
C03844
1773
-
ribitol
Ribitol
ME429081
-
C00474
1692.4
-
sarcosine (N-Methylglycine)
Sarcosine
ME429085
-
C00213
1182.9
-
scyllo-inositol
Myo-inositol
ME429086
-
C06153
1893.8
-
serine
Serine
ME429087
-
C00065
1656.3
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME429092
-
C01157
1733.1
-
urea
Urea
ME429094
-
C00086
1223.9
-
Analysis: LC/MS POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-ureidopropionate
Ureidopropionic acid
ME429122
111
C02642
1062
-
betaine
Betaine
ME429130
247
-
721
-
palmitoylcarnitine
CAR 16:0
ME429192
461
-
5179
-
2-aminoadipate
alpha-Aminoadipic acid
ME429112
469
C00956
794
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME429124
500
C01035
1085
-
creatine
Creatine
ME429140
586
C00300
758
-
creatinine
Creatinine
ME429141
588
C00791
730
-
deoxycarnitine
3-Dehydroxycarnitine
ME429144
725
C01181
759
-
isoleucine
Isoleucine
ME429172
791
C00407
1614
-
indoleacetate
Indoleacetic acid
ME429170
802
C00954
3760
-
citrulline
Citrulline
ME429138
833
C00327
715
-
pipecolate
Pipecolic acid
ME429195
849
C00408
1120
-
nicotinamide
Niacinamide
ME429188
936
C00153
1267
-
spermidine
Spermidine
ME429202
1102
C00315
533
-
methyl-beta-glucopyranoside
-
ME429179
2108
-
1094.3
-
sphinganine
Sphinganine
ME429203
3126
C00836
5175
-
serotonin (5HT)
Serotonin
ME429201
5202
C00780
1660
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME429181
5255
C12270
1563
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME429215
5570
-
757
-
corticosterone
Corticosterone
ME429139
5753
C02140
4856
-
cytidine
Cytidine
ME429143
6175
C00475
1065
-
tetraethylene glycol
Tetraethylene glycol
ME429210
8200
-
2192
-
carnitine
Carnitine
ME429136
10917
-
702
-
levulinate (4-oxovalerate)
Levulinic acid
ME429177
11579
-
1867
-
2'-deoxycytidine
Deoxycytidine
ME429111
13711
C00881
1256
-
hexaethylene glycol
Hexaethylene glycol
ME429165
17472
-
2651
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME429123
18189
C02946
1724
-
adenosine
Adenosine
ME429127
60961
C00212
1650
-
pentaethylene glycol
Pentaethylene glycol
ME429193
62551
-
2471
-
xanthosine
Xanthosine
ME429221
64959
C01762
1785
-
imidazole propionate
Imidazole propanoate
ME429169
70630
-
1011.7
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME429182
76406
C01073
1460
-
octaethylene glycol
Octaethylene glycol
ME429189
78798
-
3054
-
heptaethylene glycol
Heptaethylene glycol
ME429164
79718
-
2836
-
1-palmitoylglycerophosphocholine
LPC 16:0/0:0
ME429108
86554
-
5671
-
butyrylglycine
N-Butyrylglycine
ME429134
88412
-
2077
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME429148
92865
-
1036
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME429156
94340
-
2073
-
N1-methylguanosine
1-Methylguanosine
ME429185
96373
-
1850
-
bradykinin, des-arg(9)
Bradykinin
ME429132
105044
C00306
3516
-
N4-acetylcytidine
N4-Acetylcytidine
ME429186
107461
-
2030
-
propionylcarnitine
CAR 3:0
ME429198
107738
C03017
1589
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME429153
111299
-
2846
-
stachydrine
Stachydrine
ME429205
115244
C10172
860
-
octanoylcarnitine
CAR 8:0
ME429190
123701
-
4100
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME429145
123831
C03626
812
-
methylglutaroylcarnitine
CAR DC5:0;3Me
ME429180
128145
-
1900
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME429149
150914
-
806
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME429151
151023
-
2744
-
choline
Choline
ME429137
170746
-
674
-
butyrylcarnitine
CAR 4:0
ME429133
213144
-
2007
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME429125
439176
C00170
2427
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME429147
440103
-
1108
-
homostachydrine*
(S)-Homostachydrine
ME429168
441447
C08283
1199
-
1-myristoylglycerophosphocholine
LPC 14:0
ME429105
460604
-
5481
-
riboflavin (Vitamin B2)
Riboflavin
ME429199
493570
C00255
3111
-
1-stearoylglycerophosphocholine
LPC 18:0/0:0
ME429110
497299
-
5844
-
isovalerylglycine
Isovalerylglycine
ME429174
546304
-
2665
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME429161
657272
C00670
694
-
trans-urocanate
Urocanic acid
ME429213
736715
C00785
1119
-
ergothioneine
Ergothioneine
ME429146
3032311
C05570
847
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME429155
3038501
-
3033
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME429142
4247235
-
821
-
valerylglycine
Valerylglycine
ME429219
4737557
-
2824
-
sphingosine
Sphingosine
ME429204
5353955
C00319
5197
-
N1-methyladenosine
1-Methyladenosine
ME429184
5460178
C02494
1356
-
isovalerylcarnitine
CAR 4:0;3Me
ME429173
6426851
-
2533
-
hexanoylcarnitine
CAR 6:0
ME429166
6426853
C01585
3174
-
2-methylbutyroylcarnitine
CAR 4:0;2Me
ME429117
6426901
-
2439
-
valerylcarnitine
CAR 5:0
ME429218
6426903
-
2584
-
tigloylglycine
Tiglylglycine
ME429212
6441567
-
2523
-
3-dehydrocarnitine*
3-Dehydrocarnitine
ME429121
6991982
C02636
1020
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME429152
7009567
-
1993
-
acetylcarnitine
CAR 2:0
ME429126
7045767
C02571
1203
-
ophthalmate
Ophthalmic acid
ME429191
9817431
-
1457
-
2-stearoylglycerophosphocholine*
LPC 18:0
ME429120
10208382
-
5780
-
pro-hydroxy-pro
Pro-hydroxyPro
ME429196
11673055
-
960
-
1-linoleoylglycerophosphocholine
LPC 18:2
ME429104
11988421
C04100
5574
-
adenosine 5'-monophosphate (AMP)
AMP
ME429128
15938965
C00020
1210
-
1-oleoylglycerophosphocholine
LPC 18:1/0:0
ME429106
16081932
-
5700
-
1-arachidonoylglycerophosphocholine*
LPC 20:4/0:0
ME429098
-
C05208
5554
-
1-arachidoylglycerophosphocholine
LPC 20:4/0:0
ME429099
-
-
6100
-
1-docosahexaenoylglycerophosphocholine*
-
ME429100
-
-
5518
-
1-eicosadienoylglycerophosphocholine*
-
ME429101
-
-
5696
-
1-eicosatrienoylglycerophosphocholine*
-
ME429102
-
-
5600
-
1-heptadecanoylglycerophosphocholine
-
ME429103
-
-
5750
-
1-palmitoleoylglycerophosphocholine*
-
ME429107
-
-
5524
-
1-pentadecanoylglycerophosphocholine*
-
ME429109
-
-
5563
-
2-arachidonoylglycerophosphocholine*
LPC 20:4
ME429113
-
-
5524
-
2-docosahexaenoylglycerophosphocholine*
LPC 22:6
ME429114
-
-
5507
-
2-docosahexaenoylglycerophosphoethanolamine*
LPE 22:6
ME429115
-
-
5512
-
2-linoleoylglycerophosphocholine*
LPC 18:2
ME429116
-
-
5544
-
2-oleoylglycerophosphocholine*
LPC 18:1
ME429118
-
-
5640
-
2-palmitoylglycerophosphocholine*
LPC 0:0/16:0
ME429119
-
-
5604
-
arginine
Arginine
ME429129
-
C00062
650
-
biliverdin
Biliverdin
ME429131
-
C00500
4936
-
C-glycosyltryptophan*
C-Glycosyltryptophan
ME429135
-
-
1912
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME429150
-
-
2644
-
gamma-glutamylthreonine*
gamma-Glutamylthreonine
ME429154
-
-
977
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME429157
-
-
2040
-
glutamine
Glutamine
ME429158
-
C00064
684
-
glutaroyl carnitine
CAR DC5:0
ME429159
-
-
1565
-
glutathione, oxidized (GSSG)
Oxidized glutathione
ME429160
-
C00127
1535
-
glycylvaline
Gly-Val
ME429162
-
-
1572
-
heme
Heme
ME429163
-
-
5057
-
homocitrulline
Homocitrulline
ME429167
-
C02427
832
-
isobutyrylcarnitine
CAR 3:0;2Me
ME429171
-
-
1941
-
kynurenine
Kynurenine
ME429175
-
C00328
1902
-
leucine
Leucine
ME429176
-
C00123
1674
-
methionine
Methionine
ME429178
-
C00073
1252
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME429187
-
-
2656
-
N-acetylornithine
N-Acetylornithine
ME429183
-
C00437
875
-
phenylalanine
Phenylalanine
ME429194
-
C00079
2056
-
proline
Proline
ME429197
-
C00148
796
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME429200
-
C00021
1480
-
succinylcarnitine
CAR DC4:0
ME429206
-
-
1401
-
taurine
Taurine
ME429207
-
C00245
687
-
TDTEDKGEFLSEGGGV*
-
ME429208
-
-
3301
-
TDTEDKGEFLSEGGGVR*
-
ME429209
-
-
2880
-
threonine
Threonine
ME429211
-
C00188
713
-
triethyleneglycol
-
ME429214
-
-
1824
-
tryptophan
Tryptophan
ME429216
-
C00078
2445
-
tyrosine
Tyrosine
ME429217
-
C00082
1516
-
valine
Valine
ME429220
-
C00183
1040
-
Analysis: LC/MS NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME429253
47
C00671
2106
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME429252
49
C00141
1489
-
4-methyl-2-oxopentanoate
Ketoleucine
ME429257
70
C00233
2200
-
caprylate (8:0)
Caprylic acid
ME429274
379
C06423
4367
-
hippurate
Hippuric acid
ME429296
464
C01586
2136
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME429256
979
C01179
1716
-
palmitate (16:0)
Palmitic acid
ME429322
985
C00249
5619
-
azelate (nonanedioate)
Azelaic acid
ME429267
2266
C08261
1322
-
caprate (10:0)
Capric acid
ME429272
2969
C01571
5092
-
indolepropionate
3-Indolepropionic acid
ME429298
3744
-
2795
-
kynurenate
Kynurenic acid
ME429301
3845
C01717
2243
-
phenyllactate (PLA)
Phenyllactic acid
ME429328
3848
C05607
2237
-
laurate (12:0)
Lauric acid
ME429302
3893
C02679
5288
-
sebacate (decanedioate)
Sebacic acid
ME429332
5192
C08277
1778
-
stearate (18:0)
Stearic acid
ME429333
5281
C01530
5886
-
thymidine
Thymidine
ME429342
5789
C00214
1935
-
uridine
Uridine
ME429346
6029
C00299
1430
-
pantothenate
Pantothenic acid
ME429324
6613
C00864
1486
-
pyridoxate
4-Pyridoxic acid
ME429331
6723
C00847
2210
-
5-oxoproline
Pyroglutamic acid
ME429259
7405
C01879
744
-
valerate
Valeric acid
ME429347
7991
C00803
1774
-
heptanoate (7:0)
Heptylic acid
ME429293
8094
C17714
3695
-
undecanoate (11:0)
Undecylic acid
ME429344
8180
-
5207
-
caproate (6:0)
Caproic acid
ME429273
8892
C01585
2766
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME429249
9378
C03672
1395
-
glycocholate
Glycocholic acid
ME429292
10140
C01921
5104
-
3-indoxyl sulfate
Indoxyl sulfate
ME429251
10258
-
2258
-
isovalerate
Isovaleric acid
ME429300
10430
C08262
1623
-
suberate (octanedioate)
Suberic acid
ME429335
10457
C08278
831
-
hexadecanedioate
Hexadecanedioic acid
ME429294
10459
-
4650
-
margarate (17:0)
Margaric acid
ME429305
10465
-
5733
-
myristate (14:0)
Myristic acid
ME429307
11005
C06424
5439
-
nonadecanoate (19:0)
Nonadecylic acid
ME429319
12591
C16535
6073
-
dodecanedioate
Dodecanedioic acid
ME429287
12736
C02678
2990
-
tetradecanedioate
Tetradecanedioic acid
ME429341
13185
-
3970
-
2'-deoxyuridine
Deoxyuridine
ME429241
13712
C00526
1608
-
undecanedioate
Undecanedioic acid
ME429343
15816
-
2376
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME429250
26612
-
4681
-
beta-estradiol 3-sulfate
Estradiol-17beta 3-sulfate
ME429268
66416
C08357
4405
-
phenylacetylglycine
Phenylacetylglycine
ME429327
68144
C05598
2377
-
N-acetyltyrosine
N-Acetyltyrosine
ME429317
68310
-
1677
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME429269
69362
-
1043
-
2-hydroxystearate
2-Hydroxystearic acid
ME429245
69417
C03045
5705
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME429261
69820
-
2323
-
octadecanedioate
Octadecanedioic acid
ME429320
70095
-
5033
-
N-acetylleucine
N-Acetylleucine
ME429312
70912
C02710
2385
-
phenol sulfate
Phenyl hydrogen sulfate
ME429326
74426
C02180
2150
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME429314
74839
C03519
2590
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME429263
83697
C03264
1854
-
N-acetylalanine
N-Acetylalanine
ME429309
88064
C02847
882
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME429244
92836
-
5508
-
hexanoylglycine
Hexanoylglycine
ME429295
99463
-
2918
-
phenylpropionylglycine
Phenylpropionylglycine
ME429329
152323
-
2981
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME429243
164623
-
1787
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME429336
168408
-
4763
-
N-acetylglutamine
N-Acetylglutamine
ME429310
182230
C02716
783
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME429337
387316
C05465
5218
-
N-formylmethionine
N-Formylmethionine
ME429318
439750
C03145
1541
-
deoxycholate
Deoxycholic acid
ME429280
440355
C04483
5268
-
arachidonate (20:4n6)
Arachidonic acid
ME429266
444899
C00219
5525
-
docosahexaenoate (DHA; 22:6n3)
LPC 22:6
ME429284
445580
C06429
5518
-
palmitoleate (16:1n7)
Palmitoleic acid
ME429323
445638
C08362
5477
-
eicosapentaenoate (EPA; 20:5n3)
Eicosapentaenoic acid
ME429288
446284
C06428
5442
-
N-acetylmethionine
N-Acetylmethionine
ME429313
448580
C02712
1805
-
flavin adenine dinucleotide (FAD)
FAD
ME429291
643975
C00016
2413
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME429316
700653
C03137
2650
-
cinnamoylglycine
Cinnamoylglycine
ME429277
709625
-
3139
-
cis-urocanate
Urocanic acid
ME429278
1549103
-
1187
-
taurodeoxycholate
Taurodeoxycholic acid
ME429339
2733768
C05463
5243
-
N-acetylisoleucine
N-Acetylisoleucine
ME429311
2802421
-
2279
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME429260
3081085
C17337
5268
-
alpha-muricholate
alpha-Muricholic acid
ME429264
3083761
C17647
4763
-
beta-muricholate
beta-Muricholic acid
ME429270
3083762
C17726
4787
-
17-methylstearate
Xi-17-Methyloctadecanoic acid
ME429240
3083779
-
5987
-
catechol sulfate
Catechol sulfate
ME429275
3083879
C00090
1928
-
p-cresol sulfate
p-Cresol sulfate
ME429321
4615422
C01468
2896
-
N-acetylthreonine
N-Acetylthreonine
ME429315
4651717
C01118
846
-
linoleate (18:2n6)
Linoleic acid
ME429303
5280450
C01595
5533
-
myristoleate (14:1n5)
Myristoleic acid
ME429308
5281119
C08322
5338
-
daidzein
Daidzein
ME429279
5281708
C10208
3541
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME429283
5282807
C16533
6017
-
adrenate (22:4n6)
Adrenic acid
ME429262
5282844
C16527
5684
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME429232
5312435
-
5558
-
stearidonate (18:4n3)
Stearidonic acid
ME429334
5312508
C16300
5381
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME429233
5312513
-
5775
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME429282
5312529
C03242
5600
-
mead acid (20:3n9)
ETrE(5Z,8Z,11Z)
ME429306
5312531
-
5642
-
bilirubin (E,E)*
Bilirubin
ME429271
5315454
-
4242
-
pelargonate (9:0)
Pelargonic acid
ME429325
5461016
C01601
4847
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME429258
6426766
C05627
3323
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME429281
6439848
C16525
5722
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME429286
6441454
C06429
5625
-
1-stearoylglycerophosphoethanolamine
LPE 18:0/0:0
ME429230
9547068
-
6200
-
1-palmitoylglycerophosphoethanolamine
LPE 16:0
ME429227
9547069
-
5940
-
1-oleoylglycerophosphoethanolamine
LPE 18:1
ME429226
9547071
-
5928
-
12-HEPE
12-HEPE
ME429236
10041593
-
5236
-
12,13-hydroxyoctadec-9(Z)-enoate
12,13-DiHOME
ME429235
10236635
C14829
5137
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME429234
-
-
5086
-
12-HETE
12-HETE
ME429237
-
-
5295
-
13-HODE + 9-HODE
HODE
ME429238
-
-
5247
-
15-methylpalmitate (isobar with 2-methylpalmitate)
15-Methylpalmitic acid
ME429239
-
-
5698
-
1-arachidonoylglycerophosphoethanolamine*
LPE 20:4
ME429222
-
-
5731
-
1-arachidonoylglycerophosphoinositol*
LPI 20:4
ME429223
-
-
5479
-
1-linoleoylglycerophosphoethanolamine*
LPE 18:2
ME429224
-
-
5725
-
1-linoleoylglycerophosphoinositol*
LPI 18:2
ME429225
-
-
5487
-
1-palmitoylglycerophosphoinositol*
LPI 16:0
ME429228
-
-
5573
-
1-palmitoylplasmenylethanolamine*
LPE P-16:0 or LPE O-16:1
ME429229
-
-
6153
-
1-stearoylglycerophosphoinositol
LPI 18:0/0:0
ME429231
-
-
5800
-
2-arachidonoylglycerophosphoethanolamine*
LPE 20:4
ME429242
-
-
5674
-
2-linoleoylglycerophosphoethanolamine*
LPE 18:2
ME429246
-
-
5650
-
2-oleoylglycerophosphoethanolamine*
LPE 18:1
ME429247
-
-
5848
-
2-palmitoylglycerophosphoethanolamine*
LPE 16:0
ME429248
-
-
5790
-
3-methylhistidine
3-Methylhistidine
ME429254
-
C01152
911
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME429255
-
C05629
2830
-
anserine
Anserine
ME429265
-
C01262
1126
-
cholate
Cholic acid
ME429276
-
C00695
5148
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME429285
-
C16513
5574
-
eicosenoate (20:1n9 or 11)
cis-Gondoic acid
ME429289
-
-
5955
-
equol sulfate
-
ME429290
-
-
3625
-
histidine
Histidine
ME429297
-
C00135
757
-
inosine
Inosine
ME429299
-
-
1600
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME429304
-
C06427
5450
-
pseudouridine
Pseudouridine
ME429330
-
C02067
1104
-
taurocholate
Taurocholic acid
ME429338
-
C05122
5122
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME429340
-
-
5002.6
-
urate
Uric acid
ME429345
-
C00366
769
-
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