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Return to study ST001516 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
phosphate
Phosphoric acid
ME365761
1061
C00009
576
-
adenosine 5'-monophosphate (AMP)
AMP
ME365625
6083
C00020
1013
-
glutamate
Glutamic acid
ME365679
611
C00025
1500
-
heme
Heme
ME365564
26945
C00032
1124
-
glycine
Glycine
ME365687
750
C00037
1375
-
alanine
Alanine
ME365627
5950
C00041
1700
-
lysine
Lysine
ME365711
5962
C00047
2850
-
aspartate
Aspartic acid
ME365632
5960
C00049
1165
-
arginine
Arginine
ME365630
232
C00062
2825
-
glutamine
Glutamine
ME365680
5961
C00064
1291
-
serine
Serine
ME365778
5951
C00065
1239
-
methionine
Methionine
ME365712
6137
C00073
2526
-
ornithine
Ornithine
ME365756
6262
C00077
2800
-
tryptophan
Tryptophan
ME365795
6305
C00078
2986
-
phenylalanine
Phenylalanine
ME365759
6140
C00079
2878
-
tyrosine
Tyrosine
ME365797
6057
C00082
2430
-
urea
Urea
ME365798
1176
C00086
700
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME365682
754
C00093
580
-
cysteine
Cysteine
ME365648
5862
C00097
1475
-
beta-alanine
beta-Alanine
ME365633
239
C00099
1905
-
anthranilate
2-Aminobenzoic acid
ME365628
227
C00108
2606
-
choline
Choline
ME365640
305
C00114
1961
-
leucine
Leucine
ME365708
6106
C00123
2864
-
adenine
Adenine
ME365624
190
C00147
2221
-
proline
Proline
ME365767
145742
C00148
1603
-
asparagine
Asparagine
ME365631
6267
C00152
1225
-
nicotinamide
Niacinamide
ME365755
936
C00153
1942
-
citrate
Citric acid
ME365642
311
C00158
915
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME365620
439176
C00170
2752
-
valine
Valine
ME365799
6287
C00183
2479
-
cholesterol
Cholesterol
ME365554
11025495
C00187
2707
-
threonine
Threonine
ME365789
6288
C00188
1514
-
sarcosine
Sarcosine
ME365777
1088
C00213
1280
-
taurine
Taurine
ME365784
1123
C00245
660
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME365733
439197
C00270
660
-
creatine
Creatine
ME365644
586
C00300
1947
-
isocitrate
Isocitric acid
ME365703
1198
C00311
773
-
spermidine
Spermidine
ME365780
1102
C00315
3355
-
carnitine
Carnitine
ME365639
10917
C00318
1978
-
sphingosine
Sphingosine
ME365586
5353955
C00319
1393
-
citrulline
Citrulline
ME365643
9750
C00327
1520
-
kynurenine
Kynurenine
ME365706
161166
C00328
2739
-
phosphoethanolamine
Phosphoethanolamine
ME365762
1015
C00346
700
-
cytosine
Cytosine
ME365656
597
C00380
2060
-
guanosine
Guanosine
ME365690
6802
C00387
1728
-
isoleucine
Isoleucine
ME365704
6306
C00407
2800
-
pipecolate
Pipecolic acid
ME365765
849
C00408
2200
-
N-alpha-acetylornithine
N-Acetylornithine
ME365737
439232
C00437
2000
-
formiminoglutamate
Formiminoglutamic acid
ME365663
439233
C00439
1880
-
retinol (Vitamin A)
Retinol
ME365582
445354
C00473
1636
-
cytidine
Cytidine
ME365655
6175
C00475
2124
-
bilirubin (Z,Z)
Bilirubin
ME365548
5280352
C00486
1840
-
cystine
Cystine
ME365654
67678
C00491
2000
-
biliverdin
Biliverdin
ME365549
5353439
C00500
1016
-
hypotaurine
Hypotaurine
ME365697
107812
C00519
724
-
guanidinoacetate
Guanidoacetic acid
ME365689
763
C00581
1937
-
choline phosphate
Choline phosphate
ME365641
1014
C00588
700
-
4-cholesten-3-one
Cholestenone
ME365538
91477
C00599
2520
-
cysteine sulfinic acid
3-Sulfino-alanine
ME365650
109
C00606
597
-
N-acetylglutamate
N-Acetylglutamic acid
ME365727
70914
C00624
1050
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME365685
71920
C00670
672
-
betaine
Betaine
ME365634
247
C00719
1064
-
serotonin
Serotonin
ME365779
5202
C00780
2550
-
trans-urocanate
Urocanic acid
ME365792
736715
C00785
2285
-
creatinine
Creatinine
ME365645
588
C00791
2055
-
sphinganine
Sphinganine
ME365584
3126
C00836
1413
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME365793
5570
C01004
1388
-
dimethylglycine
Dimethylglycine
ME365660
673
C01026
1104
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME365615
500
C01035
2320
-
theanine
N(5)-Ethyl-glutamine
ME365785
439378
C01047
2180
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME365794
1145
C01104
2100
-
1-methylhistidine
1-Methylhistidine
ME365596
92105
C01152
2755
-
3-methylhistidine
3-Methylhistidine
ME365613
64969
C01152
2670
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME365791
5810
C01157
1064
-
deoxycarnitine
3-Dehydroxycarnitine
ME365657
134
C01181
2052
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME365683
123874
C01233
659
-
cysteinylglycine
Cys-Gly
ME365652
439498
C01419
2132
-
beta-sitosterol
Sitosterol
ME365546
222284
C01753
3054
-
campesterol
Campesterol
ME365550
173183
C01789
2873
-
homoarginine
Homoarginine
ME365693
9085
C01924
2882
-
7-methylguanine
7-Methylguanine
ME365622
11361
C02242
2175
-
2-aminobutyrate
2-Aminobutyric acid
ME365600
439691
C02261
2059
-
cystathionine
Cystathionine
ME365647
439258
C02291
2270
-
alpha-tocopherol
alpha-Tocopherol
ME365540
14985
C02477
2522
-
N1-methyladenosine
1-Methyladenosine
ME365746
27476
C02494
2120
-
N-acetylarginine
N-Acetylarginine
ME365722
67427
C02562
2245
-
acetylcarnitine (C2)
CAR 2:0
ME365623
1
C02571
2282
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME365602
43
C02630
958
-
3-ureidopropionate
Ureidopropionic acid
ME365614
111
C02642
875
-
N-acetylputrescine
N-Acetylputrescine
ME365735
122356
C02714
2230
-
N-acetylglutamine
N-Acetylglutamine
ME365728
182230
C02716
845
-
N6-methyllysine
N(6)-Methyllysine
ME365754
164795
C02728
2831
-
4-imidazoleacetate
Imidazoleacetic acid
ME365617
96215
C02835
2055
-
octanoylcarnitine (C8)
CAR 8:0
ME365576
123701
C02838
950
-
butyrylcarnitine (C4)
CAR 4:0
ME365636
439829
C02862
2860
-
1-methylnicotinamide
1-Methyl nicotinamide
ME365597
10129985
C02918
1940
-
methionine sulfoxide
Methionine sulfoxide
ME365714
158980
C02989
1272
-
palmitoylcarnitine (C16)
CAR 16:0
ME365580
461
C02990
1425
-
N-acetylhistidine
N-Acetylhistidine
ME365731
75619
C02997
2065
-
propionylcarnitine (C3)
CAR 3:0
ME365769
107738
C03017
2590
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME365616
439902
C03079
1141
-
hydroxyasparagine
Hydroxyasparagine
ME365696
97663
C03124
1149
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME365736
700653
C03137
2640
-
N1,N12-diacetylspermine
N1,N12-Diacetylspermine
ME365743
132680
C03413
3105
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME365659
123831
C03626
2850
-
quinolinate
Quinolinic acid
ME365771
1066
C03722
845
-
S-carboxymethyl-L-cysteine
S-Carboxymethyl-cysteine
ME365774
1080
C03727
1490
-
2-oxoarginine
2-Oxoarginine
ME365604
558
C03771
1760
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME365750
440120
C03793
2825
-
N-monomethylarginine
Targinine
ME365742
132862
C03884
2845
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME365772
1196
C04322
1528
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME365726
123826
C04540
1212
-
1-ribosyl-imidazoleacetate
Imidazoleacetic acid riboside
ME365598
5117448
C05131
2006
-
N-acetylhistamine
N-Acetylhistamine
ME365730
69602
C05135
2287
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME365608
64956
C05145
2190
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME365669
92865
C05282
1775
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME365670
150914
C05283
1430
-
S-methylmethionine
S-Methylmethionine
ME365776
458
C05319
2555
-
glycodeoxycholate
Glycodeoxycholic acid
ME365563
3035026
C05464
1302
-
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME365751
193344
C05545
2831
-
imidazole lactate
Imidazolelactic acid
ME365698
440129
C05568
2040
-
ergothioneine
Ergothioneine
ME365662
3032311
C05570
850
-
L-urobilin
L-Urobilin
ME365565
5280818
C05793
901
-
cysteine s-sulfate
Cysteine-S-sulfate
ME365649
115015
C05824
565
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME365594
75810
C05828
2064
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME365744
69698
C05842
1250
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME365745
440810
C05843
1260
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME365587
5283560
C06124
1375
-
ectoine
Ectoine
ME365661
126041
C06231
1980
-
theophylline
Theophylline
ME365787
2153
C07130
1870
-
theobromine
Theobromine
ME365786
5429
C07480
1600
-
caffeine
Caffeine
ME365637
2519
C07481
2106
-
betonicine
Betonicine
ME365635
164642
C08269
1012
-
homostachydrine
(S)-Homostachydrine
ME365694
441447
C08283
1750
-
3-formylindole
1H-Indole-3-carboxaldehyde
ME365609
10256
C08493
2736
-
tryptophan betaine
Lenticin
ME365796
442106
C09213
2673
-
picolinate
Picolinic acid
ME365763
1018
C10164
910
-
stachydrine
Stachydrine
ME365781
115244
C10172
1440
-
dimethyl sulfone
Dimethyl sulfone
ME365658
6213
C11142
832
-
indolin-2-one
Indolin-2-one
ME365701
321710
C12312
2575
-
paraxanthine
Paraxanthine
ME365757
4687
C13747
1810
-
N-acetylcitrulline
N-Acetylcitrulline
ME365724
656979
C15532
1010
-
5-hydroxylysine
5-Hydroxylysine
ME365619
1029
C16741
2790
-
sulfamethoxazole
Sulfamethoxazole
ME365783
5329
D00285,C07315,D00447
2405
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME365595
6451814
-
1989
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME365601
227939
-
3160
-
2-aminooctanoate
2-Aminocaprylic acid
ME365537
69522
-
750
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME365603
6426901
-
3050
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME365599
150971
-
2411
-
2-piperidinone
2-Piperidinone
ME365605
12665
-
1675
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME365607
5200225
-
2065
-
3-(cystein-S-yl)acetaminophen
3-(Cystein-S-yl)acetaminophen
ME365606
5233914
-
2420
-
3-hydroxybutyroylglycine
-
ME365610
-
-
978
-
3-methoxytyrosine
3-Methoxytyrosine
ME365611
1670
-
2555
-
3-methylcytidine
3-Methylcytidine
ME365612
159649
-
2176
-
5-dodecenoylcarnitine (C12:1)
CAR 12:1(5)
ME365539
-
-
1135
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME365618
-
-
2755
-
5-methylthioribose
5-Methylthioribose
ME365621
494
-
790
-
adipoylcarnitine (C6-DC)
CAR DC5:0
ME365626
71296139
-
2570
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME365541
-
-
1353
-
arachidonoylcholine
Arachidonoylcholine
ME365542
-
-
1390
-
arachidoylcarnitine (C20)
CAR 20:0
ME365543
-
-
1512
-
argininate
Argininic acid
ME365629
160437
-
2150
-
behenoylcarnitine (C22)
CAR 22:0
ME365544
-
-
1561
-
beta-cryptoxanthin
Cryptoxanthin
ME365545
6384256
-
2560
-
bilirubin (E,E)
Bilirubin
ME365547
5315454
-
1045
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME365638
2572
-
2085
-
carotene diol (2)
Carotene diol
ME365551
-
-
1904
-
carotene diol (3)
Carotene diol
ME365552
-
-
1948
-
cerotoylcarnitine (C26)
CAR 26:0
ME365553
-
-
1649
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME365555
-
-
1057
-
cys-gly, oxidized
CYS-GLY, oxidized
ME365646
333293
-
2947
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME365651
4247235
-
2465
-
cysteinylglycine disulfide
Cysteinylglycine disulfide
ME365653
-
-
2547
-
decanoylcarnitine (C10)
CAR 10:0
ME365556
10245190
-
1130
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)
CAR 20:3
ME365558
-
-
1392
-
dihomo-linolenoyl-choline
-
ME365557
-
-
1424
-
dihomo-linoleoylcarnitine (C20:2)
CAR 20:2
ME365559
-
-
1436
-
docosahexaenoylcholine
-
ME365560
-
-
1378
-
doxycycline
Doxycycline
ME365561
-
-
829
-
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME365664
-
-
2380
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME365667
440103
-
1986
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME365665
65254
-
2784
-
gamma-glutamylcitrulline
-
ME365668
-
-
1644
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME365666
7015685
-
2725
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME365671
165527
-
1535
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME365672
7017195
-
2740
-
gamma-glutamylisoleucine
gamma-Glutamylisoleucine
ME365673
14253342
-
2940
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME365674
151023
-
2991
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME365675
7009567
-
2640
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME365676
111299
-
2992
-
gamma-glutamylserine
gamma-Glu-Ser
ME365677
-
-
1351
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME365678
76078708
-
1750
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME365562
-
-
2384
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME365681
71464488
-
2393
-
glycerophosphoinositol
sn-Glycero-3-phosphoinositol
ME365684
167572
-
516
-
glycerophosphoserine
sn-Glycero-3-phosphoserine
ME365686
3081457
-
577
-
glycylvaline
Gly-Val
ME365688
97417
-
2734
-
hexanoylcarnitine (C6)
CAR 6:0
ME365691
6426853
-
3358
-
histidine betaine (hercynine)
Hercynine
ME365692
3083620
-
2094
-
hydroxy-N6,N6,N6-trimethyllysine
-
ME365695
-
-
2759
-
imidazole propionate
Imidazole propanoate
ME365699
70630
-
2263
-
indoleacetylglutamine
Indoleacetyl glutamine
ME365700
25200879
-
2185
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME365702
168379
-
2810
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME365705
6426851
-
3085
-
lanthionine
Lanthionine
ME365707
98504
-
1730
-
laurylcarnitine (C12)
CAR 12:0
ME365566
10427569
-
1235
-
leucylalanine
Leu-Ala
ME365709
259321
-
2801
-
leucylglycine
Leu-Gly
ME365710
79070
-
2778
-
lignoceroylcarnitine (C24)
CAR 24:0
ME365567
-
-
1603
-
linoleoylcarnitine (C18:2)
CAR 18:2
ME365568
6450015
-
1430
-
linoleoylcholine
alpha-Linoleoylcholine
ME365569
-
-
1388
-
methionine sulfone
Methionine sulfone
ME365713
69961
-
1250
-
methyl indole-3-acetate
Indole-3-methyl acetate
ME365715
74706
-
3380
-
methylphosphate
Methanolphosphate
ME365716
13130
-
544
-
myristoleoylcarnitine (C14:1)
CAR 14:1
ME365570
90659872
-
1316
-
myristoylcarnitine (C14)
CAR 14:0
ME365571
6426854
-
1350
-
N1-methylinosine
1-Methylinosine
ME365747
65095
-
1430
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME365591
-
-
3080
-
N2-acetyl,N6-methyllysine
N2-Acetyl,N6-methyllysine
ME365749
-
-
2168
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME365748
92919
-
2210
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME365752
123800
-
2500
-
N6-methyladenosine
N6-Methyladenosine
ME365753
1869
-
2264
-
N-acetyl-1-methylhistidine
N-Acetyl-3-methylhistidine
ME365720
193270
-
2100
-
N-acetylasparagine
N-Acetylasparagine
ME365723
99715
-
785
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME365725
24139
-
715
-
N-acetylglycine
N-Acetylglycine
ME365729
10972
-
826
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME365721
-
-
2305
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME365732
193368
-
880
-
N-acetylproline
N-Acetyl-proline
ME365734
322640
-
1695
-
N-carbamoylalanine
N-Carbamoylalanine
ME365738
426409
-
950
-
nervonoylcarnitine (C24:1)
CAR 24:1
ME365572
-
-
1602
-
N-methylhydroxyproline
N-Methyl-4-hydroxyproline
ME365739
-
-
1145
-
N-methylpipecolate
N-methyl pipecolic acid
ME365740
11286529
-
1932
-
N-methylproline
N-Methyl-proline
ME365741
557
-
1335
-
N,N-dimethyl-5-aminovalerate
N,N-Dimethyl-5-aminovaleric acid
ME365719
-
-
2290
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME365717
-
-
2186
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME365718
-
-
2470
-
nonanoylcarnitine (C9)
CAR 9:0
ME365573
-
-
1003
-
octadecanedioylcarnitine (C18-DC)
CAR DC18:0
ME365574
-
-
1227
-
octadecenedioylcarnitine (C18:1-DC)
CAR DC18:1
ME365575
-
-
1180
-
oleoylcarnitine (C18:1)
CAR 18:1
ME365577
6441392
-
1423
-
oleoylcholine
Oleoylcholine
ME365578
-
-
1449
-
palmitoleoylcarnitine (C16:1)
CAR 16:1
ME365579
71464547
-
1357
-
palmitoylcholine
Palmitoylcholine
ME365581
151731
-
1482
-
phenylacetylcarnitine
-
ME365758
101724840
-
3092
-
phenylalanylglycine
Phe-Gly
ME365760
98207
-
2898
-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME365764
-
-
2773
-
pro-hydroxy-pro
Pro-hydroxyPro
ME365766
11673055
-
2128
-
prolylglycine
Pro-Gly
ME365768
6426709
-
2136
-
pyroglutamine
Pyroglutamine
ME365770
134508
-
1900
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME365592
53481617
-
2400
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME365593
-
-
2340
-
S-allylcysteine
S-Allylcysteine
ME365773
98280
-
2690
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME365775
82142
-
900
-
sphingadienine
Sphingadienine
ME365583
6449795
-
1350
-
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME365585
520
-
1431
-
stearoylcarnitine (C18)
CAR 18:0
ME365588
6426855
-
1485
-
stearoylcholine
Stearoylcholine
ME365589
-
-
1520
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME365782
71464481
-
2291
-
thioproline
Thioproline
ME365788
93176
-
1250
-
tiglylcarnitine (C5:1-DC)
CAR DC5:1
ME365790
22833596
-
2962
-
ximenoylcarnitine (C26:1)
CAR 26:1
ME365590
-
-
1607
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME366085
439155
C00021
1832.4
-
sulfate
-
ME366092
1118
C00059
616
-
sucrose
Sucrose
ME366091
5988
C00089
865
-
glycerol
Glycerol
ME365970
753
C00116
758
-
histidine
Histidine
ME365992
6274
C00135
755.9
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME365865
49
C00141
1465
-
malate
Malic acid
ME366013
525
C00149
615.6
-
benzoate
Benzoic acid
ME365920
243
C00180
1750
-
oxalate (ethanedioate)
Oxalic acid
ME366062
971
C00209
603
-
arachidonate (20:4n6)
Arachidonic acid
ME365918
444899
C00219
5535
-
4-methyl-2-oxopentanoate
Ketoleucine
ME365883
70
C00233
2170
-
palmitate (16:0)
Palmitic acid
ME366065
985
C00249
5618
-
hypoxanthine
Hypoxanthine
ME365996
790
C00262
1291.2
-
inosine
Inosine
ME366002
6021
C00294
1602.1
-
uridine
Uridine
ME366116
6029
C00299
1457.6
-
urate
Uric acid
ME366115
1175
C00366
757.1
-
5,6-dihydrouracil
Dihydrouracil
ME365889
649
C00429
1120
-
2'-deoxyuridine
Deoxyuridine
ME365821
13712
C00526
1586
-
hydroquinone sulfate
Quinol sulfate
ME365994
161220
C00530
1395
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME365880
127
C00642
1361
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME365866
47
C00671
2064.2
-
cholate
Cholic acid
ME365928
221493
C00695
5165
-
cortisol
Cortisol
ME365932
5754
C00735
4710
-
cortisone
Cortisone
ME365933
222786
C00762
4575
-
valerate (5:0)
Valeric acid
ME366117
7991
C00803
1718
-
pyridoxate
4-Pyridoxic acid
ME366083
6723
C00847
2185
-
pantothenate
Pantothenic acid
ME366067
6613
C00864
1498.7
-
5,6-dihydrothymine
Dihydrothymine
ME365888
93556
C00906
1637.8
-
indoleacetate
Indoleacetic acid
ME365998
802
C00954
2200
-
2-aminoadipate
alpha-Aminoadipic acid
ME365826
469
C00956
639.2
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME366026
65065
C01042
620.5
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME366025
76406
C01073
773
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME365882
979
C01179
1690
-
stearate (18:0)
Stearic acid
ME366089
5281
C01530
5872
-
caprate (10:0)
Capric acid
ME365924
2969
C01571
5090.7
-
caproate (6:0)
Caproic acid
ME365925
8892
C01585
2713.7
-
hippurate
Hippuric acid
ME365991
464
C01586
2106.9
-
linoleate (18:2n6)
Linoleic acid
ME366010
5280450
C01595
5535
-
diclofenac
Diclofenac
ME365935
-
C01690
4903
-
kynurenate
Kynurenic acid
ME366009
3845
C01717
2224
-
xanthosine
Xanthosine
ME366121
64959
C01762
1075
-
thyroxine
Thyroxine
ME366111
5819
C01829
4808
-
5-oxoproline
Pyroglutamic acid
ME365896
7405
C01879
738.5
-
glycocholate
Glycocholic acid
ME365976
10140
C01921
5163
-
indolelactate
Indolelactic acid
ME365999
92904
C02043
2286
-
pseudouridine
Pseudouridine
ME366082
15047
C02067
1100
-
corticosterone
Corticosterone
ME365931
5753
C02140
5040
-
phenol sulfate
Phenyl hydrogen sulfate
ME366070
74426
C02180
2156
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME366094
45
C02287
610
-
dodecanedioate (C12-DC)
Dodecanedioic acid
ME365943
12736
C02678
2990
-
N-acetylleucine
N-Acetylleucine
ME366029
70912
C02710
2400
-
N-acetylmethionine
N-Acetylmethionine
ME366030
448580
C02712
1787
-
N6-acetyllysine
N6-Acetyllysine
ME366051
92832
C02727
1059
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME365871
18189
C02946
894
-
2-hydroxystearate
2-Hydroxystearic acid
ME365837
69417
C03045
5695
-
N-formylmethionine
N-Formylmethionine
ME366038
439750
C03145
1543.8
-
1-hydroxy-2-naphthalenecarboxylate
1-Hydroxy-2-naphthoate
ME365809
6844
C03203
3930
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME365937
5280581
C03242
5596
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME365911
83697
C03264
1840
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME366031
74839
C03519
2597
-
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME366102
440071
C03642
5027
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME365846
9378
C03672
1379
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME366073
92258
C04148
2330
-
androstenediol (3beta,17beta) disulfate (1)
4-Androsten-3beta,17beta-diol disulfate
ME365914
87120982
C04295
3740
-
androstenediol (3beta,17beta) disulfate (2)
4-Androsten-3beta,17beta-diol disulfate
ME365915
87120982
C04295
4065
-
dehydroepiandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME365934
12594
C04555
4745
-
taurocholate
Taurocholic acid
ME366098
6675
C05122
5150
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME366096
387316
C05465
5250
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME365973
12544
C05466
5236.1
-
homovanillate (HVA)
Homovanillic acid
ME365993
1738
C05582
1649
-
vanillylmandelate (VMA)
Vanillylmandelic acid
ME366120
1245
C05584
941
-
phenyllactate (PLA)
Phenyllactic acid
ME366074
3848
C05607
2208
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME365887
6426766
C05627
3320
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME365867
107
C05629
2860
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME365894
1826
C05635
1510.2
-
N-formylanthranilic acid
Formylanthranilic acid
ME366037
101399
C05653
2150
-
thromboxane B2
TXB2
ME366109
5283137
C05963
4526
-
caprylate (8:0)
Caprylic acid
ME365926
379
C06423
4362
-
myristate (14:0)
Myristic acid
ME366020
11005
C06424
5440
-
arachidate (20:0)
Arachidic acid
ME365917
10467
C06425
6240
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME366011
5280934
C06426
5450
-
eicosapentaenoate (EPA; 20:5n3)
Eicosapentaenoic acid
ME365948
446284
C06428
5450
-
docosahexaenoate (DHA; 22:6n3)
LPC 22:6
ME365939
445580
C06429
5525
-
4-acetamidophenol
Acetaminophen
ME365872
1983
C06804
2173.7
-
4-acetaminophen sulfate
Paracetamol sulfate
ME365874
83939
C06804
1792
-
amoxicillin
Amoxicillin
ME365912
2171
C06827
2365
-
phenylacetate
Phenyl acetate
ME366071
999
C07086
2150
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME365802
64960
C07326
802
-
azelate (C9-DC)
Azelaic acid
ME365919
2266
C08261
1276
-
isovalerate (i5:0)
Isovaleric acid
ME366007
10430
C08262
1564
-
erucate (22:1n9)
cis-Erucic acid
ME365951
5281116
C08316
6355.6
-
myristoleate (14:1n5)
Myristoleic acid
ME366021
5281119
C08322
5346.9
-
palmitoleate (16:1n7)
Palmitoleic acid
ME366066
445638
C08362
5475
-
thymol sulfate
-
ME366110
-
C09908
4410
-
glycolithocholate sulfate
Sulfoglycolithocholic acid
ME365981
72222
C11301
5011
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME365845
91
C11457
1980
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME366024
5255
C12270
575.3
-
N4-acetylsulfamethoxazole
N-Acetylsulfamethoxazole
ME366050
65280
C13061,D01601
2489
-
4-ethylphenylsulfate
4-Ethylphenol
ME365877
-
C13637
3580
-
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME365945
122136
C13690
1556.2
-
dopamine 4-sulfate
Dopamine 4-sulfate
ME365946
123932
C13691
1511
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME365814
14891
C13910
5085.8
-
9,10-DiHOME
9,10-DiHOME
ME365905
9966640
C14828
5180
-
12,13-DiHOME
12,13-DiHOME
ME365815
10236635
C14829
5137
-
glycolithocholate
Glycolithocholic acid
ME365980
115245
C15557
5357.1
-
stearidonate (18:4n3)
Stearidonic acid
ME366090
5312508
C16300
5395
-
1,7-dimethylurate
1,7-Dimethyluric acid
ME365803
91611
C16356
1578.6
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME365940
6441454
C16513
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME365941
6441454
C16513
5624.5
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME365936
6439848
C16525
5730
-
eicosenoate (20:1)
cis-Gondoic acid
ME365950
5282768
C16526
5950
-
adrenate (22:4n6)
Adrenic acid
ME365909
5497181
C16527
5678
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME365938
5282807
C16533
6034
-
nonadecanoate (19:0)
Nonadecylic acid
ME366054
12591
C16535
6068
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME365870
165511
C17333
5398
-
3beta,7alpha-dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoic acid
ME365869
3081084
C17335
5275
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME365902
3081085
C17337
5288.1
-
isoursodeoxycholate
Isoursodeoxycholic acid
ME366006
127601
C17662
4809
-
heptanoate (7:0)
Heptylic acid
ME365985
8094
C17714
3670
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME365987
10459
C19615
4615
-
indole-3-carboxylate
Indole-3-carboxylic acid
ME365997
69867
C19837
1710
-
12-HHTrE
12S-HHTrE
ME365817
5283141
C20388
5175
-
4-hydroxycoumarin
4-Hydroxycoumarin
ME365878
54682930
C20414
2470
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME365921
72715786
C20775
530
-
metronidazole
Metronidazole
ME366019
4173
D00409
2339
-
saccharin
Saccharin
ME366087
5143
D01085
2000
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME365813
5312435
-
5555
-
1,2,3-benzenetriol sulfate (2)
-
ME365801
-
-
1709
-
12-HETE
12-HETE
ME365816
5312983
-
5326
-
13-HODE + 9-HODE
HODE
ME365818
43013
-
5275
-
14-HDoHE/17-HDoHE
-
ME365819
-
-
5296
-
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME365820
-
-
4240
-
1-carboxyethylisoleucine
1-Carboxyethylisoleucine
ME365804
-
-
2628
-
1-carboxyethylleucine
1-Carboxyethylleucine
ME365805
-
-
2663
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME365806
-
-
2844
-
1-carboxyethyltyrosine
1-Carboxyethyltyrosine
ME365807
-
-
1846
-
1-carboxyethylvaline
1-Carboxyethylvaline
ME365808
-
-
2008
-
1-linoleoyl-GPG (18:2)
LPG 18:2/0:0
ME365810
-
-
5516
-
1-palmitoyl-GPG (16:0)
LPG 16:0/0:0
ME365811
3300276
-
5570
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME365812
-
-
5816
-
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME365843
134595
-
3935
-
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME365823
301941
-
787
-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
ME365824
-
-
1156
-
(2,4 or 2,5)-dimethylphenol sulfate
-
ME365800
-
-
3474
-
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME365825
9338
-
2575
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME365827
181670
-
1677
-
2-ethylphenylsulfate
-
ME365828
-
-
3416
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME365829
164623
-
1800
-
2-hydroxyacetaminophen sulfate
2-Hydroxyacetaminophen sulfate
ME365830
86290013
-
1674
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME365831
193484
-
6384
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME365832
21488
-
4840
-
2-hydroxyfluorene sulfate
-
ME365833
-
-
4372
-
2-hydroxynervonate
Hydroxynervonic acid
ME365834
5312783
-
6345
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME365835
94180
-
3736.8
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME365836
92836
-
5511.2
-
2-methoxyacetaminophen glucuronide
2-Methoxyacetaminophen glucuronide
ME365838
14367271
-
1633
-
2-methoxyacetaminophen sulfate
2-Methoxyacetaminophen sulfate
ME365839
86290014
-
1949
-
2-methoxyresorcinol sulfate
-
ME365840
-
-
1863
-
2-methylcitrate/homocitrate
Homocitric acid
ME365841
-
-
575
-
2-naphthol sulfate
2-Naphthyl sulfate
ME365842
74428
-
3658
-
2'-O-methyluridine
2'-O-Methyluridine
ME365822
102212
-
1831
-
3-(3-amino-3-carboxypropyl)uridine
3-(3-amino-3-carboxypropyl)uridine
ME365844
171198
-
1369
-
3-acetylphenol sulfate
3-Acetylphenol sulfate
ME365849
-
-
2477
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME365868
92997
-
5205
-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ME365850
194501
-
4000
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME365851
123979
-
2800
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME365852
188979
-
975
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME365853
26612
-
4634.7
-
3-hydroxydodecanedioate
3-Hydroxy-dodecanedioic acid
ME365854
16663321
-
2252
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME365855
151492
-
1725
-
3-hydroxyhippurate
3-Hydroxyhippuric acid
ME365856
450268
-
1687
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME365857
94216
-
5175
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME365858
26613
-
3446
-
3-hydroxyoleate
-
ME365859
-
-
5508
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME365860
-
-
1595.5
-
3-indoxyl sulfate
Indoxyl sulfate
ME365861
10258
-
2222.2
-
3-methoxycatechol sulfate (1)
-
ME365862
-
-
2163
-
3-methoxytyramine sulfate
3-Methoxytyramine sulfate
ME365863
-
-
1722
-
3-methyl catechol sulfate (1)
-
ME365864
-
-
2790
-
3-(methylthio)acetaminophen sulfate
-
ME365847
-
-
2265
-
3-(N-acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME365848
83967
-
2094
-
4-acetamidophenylglucuronide
p-Acetamidophenylglucuronide
ME365873
83944
-
1400
-
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME365875
4684006
-
2375
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME365876
-
-
3805
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME365879
151012
-
1475
-
4-hydroxyphenylacetylglutamine
4-Hydroxyphenylacetylglutamine
ME365881
-
-
1650
-
4-methylcatechol sulfate
-
ME365884
-
-
2665
-
4-methylguaiacol sulfate
-
ME365885
-
-
2978
-
4-vinylguaiacol sulfate
4-Vinylguaiacol sulfate
ME365886
-
-
3354
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME365890
94312
-
1119
-
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME365897
-
-
3962
-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
-
ME365898
-
-
5060
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME365891
5312378
-
5224
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME365892
170748
-
1267
-
5-hydroxyindole sulfate
-
ME365893
-
-
1928
-
5-methyluridine (ribothymidine)
Ribothymidine
ME365895
445408
-
1778.1
-
6-bromotryptophan
6-Bromotryptophan
ME365899
-
-
3565
-
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME365900
-
-
2498
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME365901
3014237
-
965
-
7-hydroxyindole sulfate
-
ME365903
-
-
1765
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME365904
69820
-
2300
-
acesulfame
Acesulfame
ME365906
36573
-
1581
-
acisoga
Acisoga
ME365907
129397
-
2297
-
aconitate [cis or trans]
cis-Aconitic acid
ME365908
-
-
580
-
alpha-hydroxycaproate
2-Hydroxyhexanoic acid
ME365910
99824
-
1920
-
androstenediol (3alpha, 17alpha) monosulfate (3)
-
ME365913
-
-
5180
-
androsterone sulfate
5alpha-Androstane-3alpha-ol-17-one sulfate
ME365916
159663
-
5022
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME365922
69362
-
1027
-
catechol sulfate
Catechol sulfate
ME365927
3083879
-
1906
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME365923
10981970
-
1777
-
cinnamoylglycine
Cinnamoylglycine
ME365929
709625
-
3127
-
cis-4-decenoate (10:1n6)
4Z-Decenoic acid
ME365930
5312351
-
4890
-
dodecadienoate (12:2)
Dodecadienoic acid
ME365942
-
-
5146
-
dodecenedioate (C12:1-DC)
Traumatic acid
ME365944
-
-
2700
-
eicosanedioate (C20-DC)
Eicosanedioic acid
ME365947
75502
-
5200.9
-
eicosenedioate (C20:1-DC)
-
ME365949
-
-
5095
-
eugenol sulfate
Eugenol sulfate
ME365952
180632
-
3782
-
Fibrinopeptide A (2-15)
-
ME365953
-
-
2120
-
Fibrinopeptide A (3-15)
-
ME365954
-
-
2419
-
Fibrinopeptide A (3-16)
-
ME365955
-
-
2786
-
Fibrinopeptide A (4-15)
-
ME365956
-
-
2570
-
Fibrinopeptide A (5-16)
-
ME365957
-
-
2850
-
Fibrinopeptide A (7-16)
-
ME365958
-
-
3258
-
Fibrinopeptide A (8-16)
-
ME365959
-
-
3944
-
Fibrinopeptide A, des-ala(1)
-
ME365960
-
-
2535
-
Fibrinopeptide B (1-11)
-
ME365961
-
-
2389
-
Fibrinopeptide B (1-12)
-
ME365962
-
-
2366
-
Fibrinopeptide B (1-13)
-
ME365963
-
-
2482
-
gamma-CEHC
gamma-CEHC
ME365964
133098
-
3843
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME365965
94340
-
1240
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME365966
7015683
-
1072
-
glucuronide of C12H22O4 (1)
-
ME365968
-
-
2590
-
glucuronide of C14H26O4 (1)
-
ME365969
-
-
3200
-
glu-gly-asn-val
-
ME365967
-
-
1000
-
glyco-alpha-muricholate
-
ME365971
-
-
4734
-
glyco-beta-muricholate
Glyco-beta-muricholic acid
ME365972
-
-
4762
-
glycochenodeoxycholate 3-sulfate
Glycochenodeoxycholic acid 3-sulfate
ME365974
-
-
4820
-
glycochenodeoxycholate glucuronide (1)
Glycochenodeoxycholic acid 3-glucuronide
ME365975
-
-
4806
-
glycocholenate sulfate
Glycocholenate sulfate
ME365977
-
-
4750
-
glycodeoxycholate 3-sulfate
Glycodeoxycholic acid 3-sulfate
ME365978
-
-
4875
-
glycohyocholate
Glycohyocholic acid
ME365979
-
-
5020
-
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME365982
12310288
-
5033
-
guaiacol sulfate
Guaiacol sulfate
ME365983
22473
-
2344
-
heneicosapentaenoate (21:5n3)
Heneicosapentaenoic acid
ME365984
11998573
-
5514
-
hexadecadienoate (16:2n6)
Hexadecadienoic acid
ME365986
-
-
5398
-
hexadecenedioate (C16:1-DC)
-
ME365988
-
-
4380
-
hexanoylglutamine
Hexanoylglutamine
ME365989
-
-
2780
-
hexanoylglycine
Hexanoylglycine
ME365990
99463
-
2900
-
hydroxy-CMPF
-
ME365995
-
-
1516
-
indolepropionate
3-Indolepropionic acid
ME366000
3744
-
2795
-
indolepropionylglycine
Indolepropionylglycine
ME366001
7677842
-
2926
-
isobutyrylglycine
Isobutyrylglycine
ME366003
10855600
-
1420
-
isoeugenol sulfate
-
ME366004
-
-
3893
-
isoleucylglycine
Ile-Gly
ME366005
342532
-
1992
-
isovalerylglycine
Isovalerylglycine
ME366008
546304
-
1950
-
lithocholate sulfate (1)
Lithocholic acid sulfate
ME366012
-
-
4811
-
margarate (17:0)
Margaric acid
ME366014
10465
-
5731
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME366016
-
-
2873
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME366015
-
-
1070
-
methylnaphthyl sulfate (1)
-
ME366017
-
-
4117
-
methylnaphthyl sulfate (2)
-
ME366018
-
-
4163
-
N-(2-furoyl)glycine
2-Furoylglycine
ME366022
21863
-
1525
-
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME366047
10398396
-
1367
-
N4-acetyl-5-hydroxysulfamethoxazole
-
ME366048
-
-
1745
-
N4-acetylcytidine
N4-Acetylcytidine
ME366049
107461
-
2040
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME366052
161466
-
2164
-
N6-succinyladenosine
Succinyladenosine
ME366053
165243
-
940
-
N-acetyl-2-aminooctanoate
N-Acetyl-2-aminooctanoic acid
ME366023
95555
-
3943
-
N-acetylcarnosine
N-Acetylcarnosine
ME366027
9903482
-
1235
-
N-acetylisoleucine
N-Acetylisoleucine
ME366028
2802421
-
2325
-
N-acetyltaurine
N-Acetyltaurine
ME366032
159864
-
800
-
N-acetylthreonine
N-Acetylthreonine
ME366033
152204
-
821.6
-
N-acetyltyrosine
N-Acetyltyrosine
ME366034
68310
-
1680
-
N-acetylvaline
N-Acetylvaline
ME366035
66789
-
1704
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME366036
9920500
-
858
-
N-formylphenylalanine
N-Formylphenylalanine
ME366039
759256
-
2360
-
N-linoleoylserine
-
ME366040
-
-
5492
-
N-linoleoyltaurine
N-Linoleoyl taurine
ME366041
-
-
5505
-
N-oleoylserine
NASer 18:1(9Z)
ME366042
-
-
5600
-
N-palmitoylglycine
N-Palmitoyl glycine
ME366043
151008
-
5580
-
N-palmitoylserine
N-Palmitoyl serine
ME366044
6453686
-
5557
-
N-stearoylserine
N-Stearoyl serine
ME366045
-
-
5777
-
N-stearoyltaurine
N-Stearoyl taurine
ME366046
168274
-
5782
-
o-cresol sulfate
o-Cresol sulfate
ME366055
11615528
-
2796
-
octadecadienedioate (C18:2-DC)
Octadecanedioic acid
ME366057
-
-
4676
-
octadecanedioate (C18-DC)
Octadecanedioic acid
ME366058
70095
-
5043
-
octadecenedioate (C18:1-DC)
-
ME366059
-
-
4875
-
oleate/vaccenate (18:1)
Oleic acid
ME366060
-
-
5655
-
oleoyl ethanolamide
Oleoyl-EA
ME366061
5283454
-
6450
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME366056
514186
-
990
-
p-cresol glucuronide
P-Cresol glucuronide
ME366063
154035
-
2420
-
p-cresol sulfate
p-Cresol sulfate
ME366064
4615423
-
2890
-
perfluorooctanoate (PFOA)
Perfluorooctanoic acid
ME366068
9554
-
5130
-
phenol glucuronide
Phenyl glucuronide
ME366069
87235
-
1800
-
phenylacetylglutamate
N-Phenylacetylglutamic acid
ME366072
11579826
-
1630
-
pregnenediol disulfate (C21H34O8S2)
-
ME366075
-
-
3868
-
pregnenediol sulfate (C21H34O5S)
Pregnenolone sulfate
ME366076
-
-
5000
-
pregnenetriol disulfate
-
ME366077
-
-
3504
-
pregnenetriol sulfate
-
ME366078
-
-
4749
-
pregnenolone sulfate
Pregnenolone sulfate
ME366079
105074
-
5100
-
propionylglycine
Propionylglycine
ME366080
98681
-
960
-
propyl 4-hydroxybenzoate sulfate
-
ME366081
-
-
3971
-
pyrraline
Pyrraline
ME366084
122228
-
2304
-
salicyluric glucuronide
Salicyluric glucuronide
ME366088
-
-
1463
-
S-methylcysteine
Methylcysteine
ME366086
24417
-
880
-
syringol sulfate
-
ME366093
-
-
2395
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME366095
168408
-
4774
-
taurochenodeoxycholic acid 3-sulfate
Taurochenodeoxycholic acid 3-sulfate
ME366097
-
-
4809
-
taurocholenate sulfate
Taurocholenate sulfate
ME366099
-
-
4750
-
taurodeoxycholic acid 3-sulfate
Taurodeoxycholic acid 3-sulfate
ME366100
-
-
4850
-
taurohyocholate
Taurohyocholic acid
ME366101
-
-
5000
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME366103
9848818
-
5025
-
tetradecadienedioate (C14:2-DC)
-
ME366104
-
-
3148
-
tetradecadienoate (14:2)
Tetradecadienoic acid
ME366105
5312409
-
5292
-
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME366106
13185
-
3985
-
tetrahydrocortisol sulfate (1)
-
ME366107
-
-
4276
-
threonylphenylalanine
Thr-Phe
ME366108
4099799
-
2322
-
tridecenedioate (C13:1-DC)
-
ME366112
-
-
3051
-
tyramine O-sulfate
Tyramine-O-sulfate
ME366113
153005
-
1565
-
undecanedioate (C11-DC)
Undecanedioic acid
ME366114
15816
-
2440
-
valylglycine
Val-Gly
ME366118
136487
-
1506
-
vanillactate
Vanillactic acid
ME366119
160637
-
1625
-
Analysis: Reversed phase UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
pyruvate
Pyruvic acid
ME366190
1060
C00022
1083
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME366151
51
C00026
2700
-
glucose
Glucose
ME366165
79025
C00031
2342
-
succinate
Succinic acid
ME366199
1110
C00042
3149
-
fructose
Fructose
ME366160
5984
C00095
2065
-
uracil
Uracil
ME366202
1174
C00106
1089.7
-
alpha-ketobutyrate
3-Methyl pyruvic acid
ME366149
58
C00109
940
-
ribose
Ribose
ME366194
5779
C00121
1508.2
-
fumarate
Fumaric acid
ME366161
444972
C00122
3084
-
myo-inositol
Myo-inositol
ME366182
892
C00137
3506.3
-
mannose
Mannose
ME366179
18950
C00159
2200
-
phenylpyruvate
Phenylpyruvic acid
ME366188
997
C00166
845
-
xylose
Xylose
ME366204
135191
C00181
1727
-
lactate
Lactic acid
ME366174
612
C00186
1468.8
-
glucuronate
Glucuronic acid
ME366166
444791
C00191
3233.3
-
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME366136
161227
C00204
1900
-
maltose
Maltose
ME366176
10991489
C00208
3329.4
-
arabinose
Arabinose
ME366152
66308
C00216
1804.5
-
gluconate
Gluconic acid
ME366164
10690
C00257
2922
-
gulonate
Gulonic acid
ME366170
9794176
C00257
2750
-
glycerate
Glyceric acid
ME366168
752
C00258
2070.4
-
orotate
Orotic acid
ME366185
967
C00295
1638.1
-
quinate
Quinic acid
ME366191
6508
C00296
2432.9
-
dihydroorotate
4,5-Dihydroorotic acid
ME366155
648
C00337
1910
-
xanthine
Xanthine
ME366203
1188
C00385
2023
-
ribitol
Ribitol
ME366192
6912
C00474
1789.6
-
glutarate (C5-DC)
Glutaric acid
ME366167
743
C00489
2900
-
erythritol
Erythritol
ME366156
222285
C00503
1491
-
3-sulfo-L-alanine
Cysteic acid
ME366146
72886
C00506
2890
-
gentisate
Gentisic acid
ME366163
3469
C00628
905
-
mannitol/sorbitol
Sorbitol
ME366177
5780
C00794
2320
-
salicylate
Salicylic acid
ME366196
338
C00805
802
-
galactonate
Galactonic acid
ME366162
128869
C00880
3085
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME366141
441
C01089
1444
-
maleate
Maleic acid
ME366175
444266
C01384
2640
-
threonate
Threonic acid
ME366201
151152
C01620
2384
-
ribonate
Ribonic acid
ME366193
5460677
C01685
2425
-
arabitol/xylitol
Arabitol
ME366153
6912
C01904
1932.4
-
methylmalonate (MMA)
Methylmalonic acid
ME366180
487
C02170
3078.4
-
allantoin
Allantoin
ME366147
204
C02350
1672
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME366130
193530
C02360
3000
-
homocitrulline
Homocitrulline
ME366172
65072
C02427
3006.8
-
2-isopropylmalate
2-Isopropylmalic acid
ME366135
77
C02504
2605
-
pimelate (C7-DC)
Pimelic acid
ME366189
385
C02656
2745
-
N-acetylalanine
N-Acetylalanine
ME366183
88064
C02847
1564.8
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME366169
439964
C03274
2430
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME366139
1662
C03761
2850
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME366126
6419701
C04036
1445
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME366129
677
C04039
1050
-
hydantoin-5-propionate
Hydantoin-5-propionic acid
ME366173
782
C05565
2080
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME366134
11970
C05852
858.6
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME366142
87
C06001
1619
-
succinimide
Succinimide
ME366200
11439
C07273
2155
-
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME366133
10253
C07588
1123.9
-
sebacate (C10-DC)
Sebacic acid
ME366197
5192
C08277
2147
-
suberate (C8-DC)
Suberic acid
ME366198
10457
C08278
2577.6
-
1-methylurate
1-Methyluric acid
ME366124
69726
C16359
1900
-
perfluorooctanesulfonate (PFOS)
Perfluorooctanesulfonic acid
ME366187
74483
C18142
662
-
1-arachidonoyl-GPA (20:4)
LPA 20:4/0:0
ME366122
-
-
1393
-
1H-indole-7-acetic acid
1H-Indole-7-acetic acid
ME366127
-
-
922
-
1-linoleoyl-GPA (18:2)
LPA 18:2/0:0
ME366123
-
-
1441
-
1-oleoyl-GPA (18:1)
LPA 18:1/0:0
ME366125
5497152
-
1433
-
2,2'-Methylenebis(6-tert-butyl-p-cresol)
-
ME366128
8398
-
703
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME366131
-
-
1258
-
2-hydroxyheptanoate
2-Hydroxy enanthoic acid
ME366132
2750949
-
925
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME366137
10964471
-
1660
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME366138
-
-
2204
-
3-hydroxyadipate
3-Hydroxy-adipic acid
ME366140
151913
-
3131
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME366143
3017884
-
2411
-
3-methyladipate
3-Methyladipic acid
ME366144
12292
-
2865
-
3-methylglutaconate
3E-Methylglutaconic acid
ME366145
1551553
-
2700
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME366148
99823
-
1052
-
alpha-ketoglutaramate
2-Keto-glutaramic acid
ME366150
-
-
1916
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME366154
-
-
2700
-
erythronate
Erythronic acid
ME366157
2781043
-
2186
-
ethylmalonate
Ethylmalonic acid
ME366158
11756
-
2785
-
Fibrinopeptide B (1-9)
-
ME366159
-
-
4416
-
heptenedioate (C7:1-DC)
-
ME366171
-
-
2816
-
mannonate
Mannonic acid
ME366178
3246006
-
2736
-
methylsuccinate
Methylsuccinic acid
ME366181
10349
-
2800
-
N-acetylserine
N-Acetylserine
ME366184
65249
-
2000
-
orotidine
Orotidine
ME366186
92751
-
2250
-
ribulonate/xylulonate
-
ME366195
-
-
2350
-
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