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Return to study ST001400 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
acetylcarnitine (C2)
CAR 2:0
ME320692
1
C02571
2282
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME320671
43
C02630
958
-
cysteine sulfinic acid
3-Sulfino-alanine
ME320719
109
C00606
597
-
3-ureidopropionate
Ureidopropionic acid
ME320683
111
C02642
875
-
deoxycarnitine
3-Dehydroxycarnitine
ME320726
134
C01181
2052
-
adenine
Adenine
ME320693
190
C00147
2221
-
anthranilate
2-Aminobenzoic acid
ME320697
227
C00108
2606
-
arginine
Arginine
ME320699
232
C00062
2825
-
beta-alanine
beta-Alanine
ME320702
239
C00099
1905
-
betaine
Betaine
ME320703
247
C00719
1064
-
choline
Choline
ME320709
305
C00114
1961
-
citrate
Citric acid
ME320711
311
C00158
915
-
S-methylmethionine
S-Methylmethionine
ME320845
458
C05319
2555
-
palmitoylcarnitine (C16)
CAR 16:0
ME320649
461
C02990
1425
-
5-methylthioribose
5-Methylthioribose
ME320690
494
-
790
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME320684
500
C01035
2320
-
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME320654
520
-
1431
-
N-methylproline
N-Methyl-proline
ME320810
557
-
1335
-
2-oxoarginine
2-Oxoarginine
ME320673
558
C03771
1760
-
creatine
Creatine
ME320713
586
C00300
1947
-
creatinine
Creatinine
ME320714
588
C00791
2055
-
cytosine
Cytosine
ME320725
597
C00380
2060
-
glutamate
Glutamic acid
ME320748
611
C00025
1500
-
dimethylglycine
Dimethylglycine
ME320729
673
C01026
1104
-
glycine
Glycine
ME320756
750
C00037
1375
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME320751
754
C00093
580
-
guanidinoacetate
Guanidoacetic acid
ME320758
763
C00581
1937
-
pipecolate
Pipecolic acid
ME320834
849
C00408
2200
-
nicotinamide
Niacinamide
ME320824
936
C00153
1942
-
choline phosphate
Choline phosphate
ME320710
1014
C00588
700
-
phosphoethanolamine
Phosphoethanolamine
ME320831
1015
C00346
700
-
picolinate
Picolinic acid
ME320832
1018
C10164
910
-
5-hydroxylysine
5-Hydroxylysine
ME320688
1029
C16741
2790
-
phosphate
Phosphoric acid
ME320830
1061
C00009
576
-
quinolinate
Quinolinic acid
ME320840
1066
C03722
845
-
S-carboxymethyl-L-cysteine
S-Carboxymethyl-cysteine
ME320843
1080
C03727
1490
-
sarcosine
Sarcosine
ME320846
1088
C00213
1280
-
spermidine
Spermidine
ME320849
1102
C00315
3355
-
taurine
Taurine
ME320853
1123
C00245
660
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME320863
1145
C01104
2100
-
urea
Urea
ME320867
1176
C00086
700
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME320841
1196
C04322
1528
-
isocitrate
Isocitric acid
ME320772
1198
C00311
773
-
3-methoxytyrosine
3-Methoxytyrosine
ME320680
1670
-
2555
-
N6-methyladenosine
N6-Methyladenosine
ME320822
1869
-
2264
-
theophylline
Theophylline
ME320856
2153
C07130
1870
-
caffeine
Caffeine
ME320706
2519
C07481
2106
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME320707
2572
-
2085
-
sphinganine
Sphinganine
ME320653
3126
C00836
1413
-
paraxanthine
Paraxanthine
ME320826
4687
C13747
1810
-
serotonin
Serotonin
ME320848
5202
C00780
2550
-
sulfamethoxazole
Sulfamethoxazole
ME320852
5329
D00285,C07315,D00447
2405
-
theobromine
Theobromine
ME320855
5429
C07480
1600
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME320862
5570
C01004
1388
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME320860
5810
C01157
1064
-
cysteine
Cysteine
ME320717
5862
C00097
1475
-
alanine
Alanine
ME320696
5950
C00041
1700
-
serine
Serine
ME320847
5951
C00065
1239
-
aspartate
Aspartic acid
ME320701
5960
C00049
1165
-
glutamine
Glutamine
ME320749
5961
C00064
1291
-
lysine
Lysine
ME320780
5962
C00047
2850
-
tyrosine
Tyrosine
ME320866
6057
C00082
2430
-
adenosine 5'-monophosphate (AMP)
AMP
ME320694
6083
C00020
1013
-
leucine
Leucine
ME320777
6106
C00123
2864
-
methionine
Methionine
ME320781
6137
C00073
2526
-
phenylalanine
Phenylalanine
ME320828
6140
C00079
2878
-
cytidine
Cytidine
ME320724
6175
C00475
2124
-
dimethyl sulfone
Dimethyl sulfone
ME320727
6213
C11142
832
-
ornithine
Ornithine
ME320825
6262
C00077
2800
-
asparagine
Asparagine
ME320700
6267
C00152
1225
-
valine
Valine
ME320868
6287
C00183
2479
-
threonine
Threonine
ME320858
6288
C00188
1514
-
tryptophan
Tryptophan
ME320864
6305
C00078
2986
-
isoleucine
Isoleucine
ME320773
6306
C00407
2800
-
guanosine
Guanosine
ME320759
6802
C00387
1728
-
homoarginine
Homoarginine
ME320762
9085
C01924
2882
-
citrulline
Citrulline
ME320712
9750
C00327
1520
-
3-formylindole
1H-Indole-3-carboxaldehyde
ME320678
10256
C08493
2736
-
carnitine
Carnitine
ME320708
10917
C00318
1978
-
N-acetylglycine
N-Acetylglycine
ME320798
10972
-
826
-
7-methylguanine
7-Methylguanine
ME320691
11361
C02242
2175
-
2-piperidinone
2-Piperidinone
ME320674
12665
-
1675
-
methylphosphate
Methanolphosphate
ME320785
13130
-
544
-
alpha-tocopherol
alpha-Tocopherol
ME320609
14985
C02477
2522
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME320794
24139
-
715
-
heme
Heme
ME320633
26945
C00032
1124
-
N1-methyladenosine
1-Methyladenosine
ME320815
27476
C02494
2120
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME320677
64956
C05145
2190
-
3-methylhistidine
3-Methylhistidine
ME320682
64969
C01152
2670
-
N1-methylinosine
1-Methylinosine
ME320816
65095
-
1430
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME320734
65254
-
2784
-
N-acetylarginine
N-Acetylarginine
ME320791
67427
C02562
2245
-
cystine
Cystine
ME320723
67678
C00491
2000
-
2-aminooctanoate
2-Aminocaprylic acid
ME320606
69522
-
750
-
N-acetylhistamine
N-Acetylhistamine
ME320799
69602
C05135
2287
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME320813
69698
C05842
1250
-
methionine sulfone
Methionine sulfone
ME320782
69961
-
1250
-
imidazole propionate
Imidazole propanoate
ME320768
70630
-
2263
-
N-acetylglutamate
N-Acetylglutamic acid
ME320796
70914
C00624
1050
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME320754
71920
C00670
672
-
methyl indole-3-acetate
Indole-3-methyl acetate
ME320784
74706
-
3380
-
N-acetylhistidine
N-Acetylhistidine
ME320800
75619
C02997
2065
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME320663
75810
C05828
2064
-
leucylglycine
Leu-Gly
ME320779
79070
-
2778
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME320844
82142
-
900
-
4-cholesten-3-one
Cholestenone
ME320607
91477
C00599
2520
-
1-methylhistidine
1-Methylhistidine
ME320665
92105
C01152
2755
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME320738
92865
C05282
1775
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME320817
92919
-
2210
-
thioproline
Thioproline
ME320857
93176
-
1250
-
4-imidazoleacetate
Imidazoleacetic acid
ME320686
96215
C02835
2055
-
glycylvaline
Gly-Val
ME320757
97417
-
2734
-
hydroxyasparagine
Hydroxyasparagine
ME320765
97663
C03124
1149
-
phenylalanylglycine
Phe-Gly
ME320829
98207
-
2898
-
S-allylcysteine
S-Allylcysteine
ME320842
98280
-
2690
-
lanthionine
Lanthionine
ME320776
98504
-
1730
-
N-acetylasparagine
N-Acetylasparagine
ME320792
99715
-
785
-
propionylcarnitine (C3)
CAR 3:0
ME320838
107738
C03017
2590
-
hypotaurine
Hypotaurine
ME320766
107812
C00519
724
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME320745
111299
-
2992
-
cysteine s-sulfate
Cysteine-S-sulfate
ME320718
115015
C05824
565
-
stachydrine
Stachydrine
ME320850
115244
C10172
1440
-
N-acetylputrescine
N-Acetylputrescine
ME320804
122356
C02714
2230
-
octanoylcarnitine (C8)
CAR 8:0
ME320645
123701
C02838
950
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME320821
123800
-
2500
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME320795
123826
C04540
1212
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME320728
123831
C03626
2850
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME320752
123874
C01233
659
-
ectoine
Ectoine
ME320730
126041
C06231
1980
-
N1,N12-diacetylspermine
N1,N12-Diacetylspermine
ME320812
132680
C03413
3105
-
N-monomethylarginine
Targinine
ME320811
132862
C03884
2845
-
pyroglutamine
Pyroglutamine
ME320839
134508
-
1900
-
proline
Proline
ME320836
145742
C00148
1603
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME320739
150914
C05283
1430
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME320668
150971
-
2411
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME320743
151023
-
2991
-
palmitoylcholine
Palmitoylcholine
ME320650
151731
-
1482
-
methionine sulfoxide
Methionine sulfoxide
ME320783
158980
C02989
1272
-
3-methylcytidine
3-Methylcytidine
ME320681
159649
-
2176
-
argininate
Argininic acid
ME320698
160437
-
2150
-
kynurenine
Kynurenine
ME320775
161166
C00328
2739
-
betonicine
Betonicine
ME320704
164642
C08269
1012
-
N6-methyllysine
N(6)-Methyllysine
ME320823
164795
C02728
2831
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME320740
165527
-
1535
-
glycerophosphoinositol
sn-Glycero-3-phosphoinositol
ME320753
167572
-
516
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME320771
168379
-
2810
-
campesterol
Campesterol
ME320619
173183
C01789
2873
-
N-acetylglutamine
N-Acetylglutamine
ME320797
182230
C02716
845
-
N-acetyl-1-methylhistidine
N-Acetyl-3-methylhistidine
ME320789
193270
-
2100
-
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME320820
193344
C05545
2831
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME320801
193368
-
880
-
beta-sitosterol
Sitosterol
ME320615
222284
C01753
3054
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME320670
227939
-
3160
-
leucylalanine
Leu-Ala
ME320778
259321
-
2801
-
indolin-2-one
Indolin-2-one
ME320770
321710
C12312
2575
-
N-acetylproline
N-Acetyl-proline
ME320803
322640
-
1695
-
cys-gly, oxidized
CYS-GLY, oxidized
ME320715
333293
-
2947
-
N-carbamoylalanine
N-Carbamoylalanine
ME320807
426409
-
950
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME320689
439176
C00170
2752
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME320802
439197
C00270
660
-
N-alpha-acetylornithine
N-Acetylornithine
ME320806
439232
C00437
2000
-
formiminoglutamate
Formiminoglutamic acid
ME320732
439233
C00439
1880
-
cystathionine
Cystathionine
ME320716
439258
C02291
2270
-
theanine
N(5)-Ethyl-glutamine
ME320854
439378
C01047
2180
-
cysteinylglycine
Cys-Gly
ME320721
439498
C01419
2132
-
2-aminobutyrate
2-Aminobutyric acid
ME320669
439691
C02261
2059
-
butyrylcarnitine (C4)
CAR 4:0
ME320705
439829
C02862
2860
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME320685
439902
C03079
1141
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME320736
440103
-
1986
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME320819
440120
C03793
2825
-
imidazole lactate
Imidazolelactic acid
ME320767
440129
C05568
2040
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME320814
440810
C05843
1260
-
homostachydrine
(S)-Homostachydrine
ME320763
441447
C08283
1750
-
tryptophan betaine
Lenticin
ME320865
442106
C09213
2673
-
retinol (Vitamin A)
Retinol
ME320651
445354
C00473
1636
-
N-acetylcitrulline
N-Acetylcitrulline
ME320793
656979
C15532
1010
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME320805
700653
C03137
2640
-
trans-urocanate
Urocanic acid
ME320861
736715
C00785
2285
-
ergothioneine
Ergothioneine
ME320731
3032311
C05570
850
-
glycodeoxycholate
Glycodeoxycholic acid
ME320632
3035026
C05464
1302
-
glycerophosphoserine
sn-Glycero-3-phosphoserine
ME320755
3081457
-
577
-
histidine betaine (hercynine)
Hercynine
ME320761
3083620
-
2094
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME320720
4247235
-
2465
-
1-ribosyl-imidazoleacetate
Imidazoleacetic acid riboside
ME320667
5117448
C05131
2006
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME320676
5200225
-
2065
-
3-(cystein-S-yl)acetaminophen
3-(Cystein-S-yl)acetaminophen
ME320675
5233914
-
2420
-
bilirubin (Z,Z)
Bilirubin
ME320617
5280352
C00486
1840
-
L-urobilin
L-Urobilin
ME320634
5280818
C05793
901
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME320656
5283560
C06124
1375
-
bilirubin (E,E)
Bilirubin
ME320616
5315454
-
1045
-
biliverdin
Biliverdin
ME320618
5353439
C00500
1016
-
sphingosine
Sphingosine
ME320655
5353955
C00319
1393
-
beta-cryptoxanthin
Cryptoxanthin
ME320614
6384256
-
2560
-
prolylglycine
Pro-Gly
ME320837
6426709
-
2136
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME320774
6426851
-
3085
-
hexanoylcarnitine (C6)
CAR 6:0
ME320760
6426853
-
3358
-
myristoylcarnitine (C14)
CAR 14:0
ME320640
6426854
-
1350
-
stearoylcarnitine (C18)
CAR 18:0
ME320657
6426855
-
1485
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME320672
6426901
-
3050
-
oleoylcarnitine (C18:1)
CAR 18:1
ME320646
6441392
-
1423
-
sphingadienine
Sphingadienine
ME320652
6449795
-
1350
-
linoleoylcarnitine (C18:2)
CAR 18:2
ME320637
6450015
-
1430
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME320664
6451814
-
1989
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME320744
7009567
-
2640
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME320735
7015685
-
2725
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME320741
7017195
-
2740
-
1-methylnicotinamide
1-Methyl nicotinamide
ME320666
10129985
C02918
1940
-
decanoylcarnitine (C10)
CAR 10:0
ME320625
10245190
-
1130
-
laurylcarnitine (C12)
CAR 12:0
ME320635
10427569
-
1235
-
cholesterol
Cholesterol
ME320623
11025495
C00187
2707
-
N-methylpipecolate
N-methyl pipecolic acid
ME320809
11286529
-
1932
-
pro-hydroxy-pro
Pro-hydroxyPro
ME320835
11673055
-
2128
-
gamma-glutamylisoleucine
gamma-Glutamylisoleucine
ME320742
14253342
-
2940
-
tiglylcarnitine (C5:1-DC)
CAR DC5:1
ME320859
22833596
-
2962
-
indoleacetylglutamine
Indoleacetyl glutamine
ME320769
25200879
-
2185
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME320661
53481617
-
2400
-
adipoylcarnitine (C6-DC)
CAR DC5:0
ME320695
71296139
-
2570
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME320851
71464481
-
2291
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME320750
71464488
-
2393
-
palmitoleoylcarnitine (C16:1)
CAR 16:1
ME320648
71464547
-
1357
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME320747
76078708
-
1750
-
myristoleoylcarnitine (C14:1)
CAR 14:1
ME320639
90659872
-
1316
-
phenylacetylcarnitine
-
ME320827
101724840
-
3092
-
3-hydroxybutyroylglycine
-
ME320679
-
-
978
-
5-dodecenoylcarnitine (C12:1)
CAR 12:1(5)
ME320608
-
-
1135
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME320687
-
-
2755
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME320610
-
-
1353
-
arachidonoylcholine
Arachidonoylcholine
ME320611
-
-
1390
-
arachidoylcarnitine (C20)
CAR 20:0
ME320612
-
-
1512
-
behenoylcarnitine (C22)
CAR 22:0
ME320613
-
-
1561
-
carotene diol (2)
Carotene diol
ME320620
-
-
1904
-
carotene diol (3)
Carotene diol
ME320621
-
-
1948
-
cerotoylcarnitine (C26)
CAR 26:0
ME320622
-
-
1649
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME320624
-
-
1057
-
cysteinylglycine disulfide
Cysteinylglycine disulfide
ME320722
-
-
2547
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)
CAR 20:3
ME320627
-
-
1392
-
dihomo-linolenoyl-choline
-
ME320626
-
-
1424
-
dihomo-linoleoylcarnitine (C20:2)
CAR 20:2
ME320628
-
-
1436
-
docosahexaenoylcholine
-
ME320629
-
-
1378
-
doxycycline
Doxycycline
ME320630
-
-
829
-
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME320733
-
-
2380
-
gamma-glutamylcitrulline
-
ME320737
-
-
1644
-
gamma-glutamylserine
gamma-Glu-Ser
ME320746
-
-
1351
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME320631
-
-
2384
-
hydroxy-N6,N6,N6-trimethyllysine
-
ME320764
-
-
2759
-
lignoceroylcarnitine (C24)
CAR 24:0
ME320636
-
-
1603
-
linoleoylcholine
alpha-Linoleoylcholine
ME320638
-
-
1388
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME320660
-
-
3080
-
N2-acetyl,N6-methyllysine
N2-Acetyl,N6-methyllysine
ME320818
-
-
2168
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME320790
-
-
2305
-
nervonoylcarnitine (C24:1)
CAR 24:1
ME320641
-
-
1602
-
N-methylhydroxyproline
N-Methyl-4-hydroxyproline
ME320808
-
-
1145
-
N,N-dimethyl-5-aminovalerate
N,N-Dimethyl-5-aminovaleric acid
ME320788
-
-
2290
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME320786
-
-
2186
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME320787
-
-
2470
-
nonanoylcarnitine (C9)
CAR 9:0
ME320642
-
-
1003
-
octadecanedioylcarnitine (C18-DC)
CAR DC18:0
ME320643
-
-
1227
-
octadecenedioylcarnitine (C18:1-DC)
CAR DC18:1
ME320644
-
-
1180
-
oleoylcholine
Oleoylcholine
ME320647
-
-
1449
-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME320833
-
-
2773
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME320662
-
-
2340
-
stearoylcholine
Stearoylcholine
ME320658
-
-
1520
-
ximenoylcarnitine (C26:1)
CAR 26:1
ME320659
-
-
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
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME321163
45
C02287
610
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME320935
47
C00671
2064.2
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME320934
49
C00141
1465
-
4-methyl-2-oxopentanoate
Ketoleucine
ME320952
70
C00233
2170
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME320914
91
C11457
1980
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME320936
107
C05629
2860
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME320949
127
C00642
1361
-
benzoate
Benzoic acid
ME320989
243
C00180
1750
-
caprylate (8:0)
Caprylic acid
ME320995
379
C06423
4362
-
hippurate
Hippuric acid
ME321060
464
C01586
2106.9
-
2-aminoadipate
alpha-Aminoadipic acid
ME320895
469
C00956
639.2
-
malate
Malic acid
ME321082
525
C00149
615.6
-
5,6-dihydrouracil
Dihydrouracil
ME320958
649
C00429
1120
-
glycerol
Glycerol
ME321039
753
C00116
758
-
hypoxanthine
Hypoxanthine
ME321065
790
C00262
1291.2
-
indoleacetate
Indoleacetic acid
ME321067
802
C00954
2200
-
oxalate (ethanedioate)
Oxalic acid
ME321131
971
C00209
603
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME320951
979
C01179
1690
-
palmitate (16:0)
Palmitic acid
ME321134
985
C00249
5618
-
phenylacetate
Phenyl acetate
ME321140
999
C07086
2150
-
sulfate
-
ME321161
1118
C00059
616
-
urate
Uric acid
ME321184
1175
C00366
757.1
-
vanillylmandelate (VMA)
Vanillylmandelic acid
ME321189
1245
C05584
941
-
homovanillate (HVA)
Homovanillic acid
ME321062
1738
C05582
1649
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME320963
1826
C05635
1510.2
-
4-acetamidophenol
Acetaminophen
ME320941
1983
C06804
2173.7
-
amoxicillin
Amoxicillin
ME320981
2171
C06827
2365
-
azelate (C9-DC)
Azelaic acid
ME320988
2266
C08261
1276
-
caprate (10:0)
Capric acid
ME320993
2969
C01571
5090.7
-
indolepropionate
3-Indolepropionic acid
ME321069
3744
-
2795
-
kynurenate
Kynurenic acid
ME321078
3845
C01717
2224
-
phenyllactate (PLA)
Phenyllactic acid
ME321143
3848
C05607
2208
-
metronidazole
Metronidazole
ME321088
4173
D00409
2339
-
saccharin
Saccharin
ME321156
5143
D01085
2000
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME321093
5255
C12270
575.3
-
stearate (18:0)
Stearic acid
ME321158
5281
C01530
5872
-
corticosterone
Corticosterone
ME321000
5753
C02140
5040
-
cortisol
Cortisol
ME321001
5754
C00735
4710
-
thyroxine
Thyroxine
ME321180
5819
C01829
4808
-
sucrose
Sucrose
ME321160
5988
C00089
865
-
inosine
Inosine
ME321071
6021
C00294
1602.1
-
uridine
Uridine
ME321185
6029
C00299
1457.6
-
histidine
Histidine
ME321061
6274
C00135
755.9
-
pantothenate
Pantothenic acid
ME321136
6613
C00864
1498.7
-
taurocholate
Taurocholic acid
ME321167
6675
C05122
5150
-
pyridoxate
4-Pyridoxic acid
ME321152
6723
C00847
2185
-
1-hydroxy-2-naphthalenecarboxylate
1-Hydroxy-2-naphthoate
ME320878
6844
C03203
3930
-
5-oxoproline
Pyroglutamic acid
ME320965
7405
C01879
738.5
-
valerate (5:0)
Valeric acid
ME321186
7991
C00803
1718
-
heptanoate (7:0)
Heptylic acid
ME321054
8094
C17714
3670
-
caproate (6:0)
Caproic acid
ME320994
8892
C01585
2713.7
-
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME320894
9338
-
2575
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME320915
9378
C03672
1379
-
perfluorooctanoate (PFOA)
Perfluorooctanoic acid
ME321137
9554
-
5130
-
glycocholate
Glycocholic acid
ME321045
10140
C01921
5163
-
3-indoxyl sulfate
Indoxyl sulfate
ME320930
10258
-
2222.2
-
isovalerate (i5:0)
Isovaleric acid
ME321076
10430
C08262
1564
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME321056
10459
C19615
4615
-
margarate (17:0)
Margaric acid
ME321083
10465
-
5731
-
arachidate (20:0)
Arachidic acid
ME320986
10467
C06425
6240
-
myristate (14:0)
Myristic acid
ME321089
11005
C06424
5440
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME321042
12544
C05466
5236.1
-
nonadecanoate (19:0)
Nonadecylic acid
ME321123
12591
C16535
6068
-
dehydroepiandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME321003
12594
C04555
4745
-
dodecanedioate (C12-DC)
Dodecanedioic acid
ME321012
12736
C02678
2990
-
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME321175
13185
-
3985
-
2'-deoxyuridine
Deoxyuridine
ME320890
13712
C00526
1586
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME320883
14891
C13910
5085.8
-
pseudouridine
Pseudouridine
ME321151
15047
C02067
1100
-
undecanedioate (C11-DC)
Undecanedioic acid
ME321183
15816
-
2440
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME320940
18189
C02946
894
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME320901
21488
-
4840
-
N-(2-furoyl)glycine
2-Furoylglycine
ME321091
21863
-
1525
-
guaiacol sulfate
Guaiacol sulfate
ME321052
22473
-
2344
-
S-methylcysteine
Methylcysteine
ME321155
24417
-
880
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME320922
26612
-
4634.7
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME320927
26613
-
3446
-
acesulfame
Acesulfame
ME320975
36573
-
1581
-
13-HODE + 9-HODE
HODE
ME320887
43013
-
5275
-
xanthosine
Xanthosine
ME321190
64959
C01762
1075
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME320871
64960
C07326
802
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME321095
65065
C01042
620.5
-
N4-acetylsulfamethoxazole
N-Acetylsulfamethoxazole
ME321119
65280
C13061,D01601
2489
-
N-acetylvaline
N-Acetylvaline
ME321104
66789
-
1704
-
N-acetyltyrosine
N-Acetyltyrosine
ME321103
68310
-
1680
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME320991
69362
-
1027
-
2-hydroxystearate
2-Hydroxystearic acid
ME320906
69417
C03045
5695
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME320973
69820
-
2300
-
indole-3-carboxylate
Indole-3-carboxylic acid
ME321066
69867
C19837
1710
-
octadecanedioate (C18-DC)
Octadecanedioic acid
ME321127
70095
-
5043
-
N-acetylleucine
N-Acetylleucine
ME321098
70912
C02710
2400
-
glycolithocholate sulfate
Sulfoglycolithocholic acid
ME321050
72222
C11301
5011
-
phenol sulfate
Phenyl hydrogen sulfate
ME321139
74426
C02180
2156
-
2-naphthol sulfate
2-Naphthyl sulfate
ME320911
74428
-
3658
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME321100
74839
C03519
2597
-
eicosanedioate (C20-DC)
Eicosanedioic acid
ME321016
75502
-
5200.9
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME321094
76406
C01073
773
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME320980
83697
C03264
1840
-
4-acetaminophen sulfate
Paracetamol sulfate
ME320943
83939
C06804
1792
-
4-acetamidophenylglucuronide
p-Acetamidophenylglucuronide
ME320942
83944
-
1400
-
3-(N-acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME320917
83967
-
2094
-
phenol glucuronide
Phenyl glucuronide
ME321138
87235
-
1800
-
1,7-dimethylurate
1,7-Dimethyluric acid
ME320872
91611
C16356
1578.6
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME321142
92258
C04148
2330
-
N6-acetyllysine
N6-Acetyllysine
ME321120
92832
C02727
1059
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME320905
92836
-
5511.2
-
indolelactate
Indolelactic acid
ME321068
92904
C02043
2286
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME320937
92997
-
5205
-
5,6-dihydrothymine
Dihydrothymine
ME320957
93556
C00906
1637.8
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME320904
94180
-
3736.8
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME320926
94216
-
5175
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME320959
94312
-
1119
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME321034
94340
-
1240
-
N-acetyl-2-aminooctanoate
N-Acetyl-2-aminooctanoic acid
ME321092
95555
-
3943
-
propionylglycine
Propionylglycine
ME321149
98681
-
960
-
hexanoylglycine
Hexanoylglycine
ME321059
99463
-
2900
-
alpha-hydroxycaproate
2-Hydroxyhexanoic acid
ME320979
99824
-
1920
-
N-formylanthranilic acid
Formylanthranilic acid
ME321106
101399
C05653
2150
-
2'-O-methyluridine
2'-O-Methyluridine
ME320891
102212
-
1831
-
pregnenolone sulfate
Pregnenolone sulfate
ME321148
105074
-
5100
-
N4-acetylcytidine
N4-Acetylcytidine
ME321118
107461
-
2040
-
glycolithocholate
Glycolithocholic acid
ME321049
115245
C15557
5357.1
-
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME321014
122136
C13690
1556.2
-
pyrraline
Pyrraline
ME321153
122228
-
2304
-
dopamine 4-sulfate
Dopamine 4-sulfate
ME321015
123932
C13691
1511
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME320920
123979
-
2800
-
isoursodeoxycholate
Isoursodeoxycholic acid
ME321075
127601
C17662
4809
-
acisoga
Acisoga
ME320976
129397
-
2297
-
gamma-CEHC
gamma-CEHC
ME321033
133098
-
3843
-
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME320912
134595
-
3935
-
valylglycine
Val-Gly
ME321187
136487
-
1506
-
N-palmitoylglycine
N-Palmitoyl glycine
ME321112
151008
-
5580
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME320948
151012
-
1475
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME320924
151492
-
1725
-
N-acetylthreonine
N-Acetylthreonine
ME321102
152204
-
821.6
-
tyramine O-sulfate
Tyramine-O-sulfate
ME321182
153005
-
1565
-
p-cresol glucuronide
P-Cresol glucuronide
ME321132
154035
-
2420
-
androsterone sulfate
5alpha-Androstane-3alpha-ol-17-one sulfate
ME320985
159663
-
5022
-
N-acetyltaurine
N-Acetyltaurine
ME321101
159864
-
800
-
vanillactate
Vanillactic acid
ME321188
160637
-
1625
-
hydroquinone sulfate
Quinol sulfate
ME321063
161220
C00530
1395
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME321121
161466
-
2164
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME320898
164623
-
1800
-
N6-succinyladenosine
Succinyladenosine
ME321122
165243
-
940
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME320939
165511
C17333
5398
-
N-stearoyltaurine
N-Stearoyl taurine
ME321115
168274
-
5782
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME321164
168408
-
4774
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME320961
170748
-
1267
-
3-(3-amino-3-carboxypropyl)uridine
3-(3-amino-3-carboxypropyl)uridine
ME320913
171198
-
1369
-
eugenol sulfate
Eugenol sulfate
ME321021
180632
-
3782
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME320896
181670
-
1677
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME320921
188979
-
975
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME320900
193484
-
6384
-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ME320919
194501
-
4000
-
cholate
Cholic acid
ME320997
221493
C00695
5165
-
cortisone
Cortisone
ME321002
222786
C00762
4575
-
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME320892
301941
-
787
-
isoleucylglycine
Ile-Gly
ME321074
342532
-
1992
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME321165
387316
C05465
5250
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME321154
439155
C00021
1832.4
-
N-formylmethionine
N-Formylmethionine
ME321107
439750
C03145
1543.8
-
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME321171
440071
C03642
5027
-
arachidonate (20:4n6)
Arachidonic acid
ME320987
444899
C00219
5535
-
5-methyluridine (ribothymidine)
Ribothymidine
ME320964
445408
-
1778.1
-
docosahexaenoate (DHA; 22:6n3)
LPC 22:6
ME321008
445580
C06429
5525
-
palmitoleate (16:1n7)
Palmitoleic acid
ME321135
445638
C08362
5475
-
eicosapentaenoate (EPA; 20:5n3)
Eicosapentaenoic acid
ME321017
446284
C06428
5450
-
N-acetylmethionine
N-Acetylmethionine
ME321099
448580
C02712
1787
-
3-hydroxyhippurate
3-Hydroxyhippuric acid
ME320925
450268
-
1687
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME321125
514186
-
990
-
isovalerylglycine
Isovalerylglycine
ME321077
546304
-
1950
-
cinnamoylglycine
Cinnamoylglycine
ME320998
709625
-
3127
-
N-formylphenylalanine
N-Formylphenylalanine
ME321108
759256
-
2360
-
N-acetylisoleucine
N-Acetylisoleucine
ME321097
2802421
-
2325
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME320970
3014237
-
965
-
3beta,7alpha-dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoic acid
ME320938
3081084
C17335
5275
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME320971
3081085
C17337
5288.1
-
catechol sulfate
Catechol sulfate
ME320996
3083879
-
1906
-
1-palmitoyl-GPG (16:0)
LPG 16:0/0:0
ME320880
3300276
-
5570
-
threonylphenylalanine
Thr-Phe
ME321177
4099799
-
2322
-
p-cresol sulfate
p-Cresol sulfate
ME321133
4615423
-
2890
-
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME320944
4684006
-
2375
-
linoleate (18:2n6)
Linoleic acid
ME321079
5280450
C01595
5535
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME321006
5280581
C03242
5596
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME321080
5280934
C06426
5450
-
erucate (22:1n9)
cis-Erucic acid
ME321020
5281116
C08316
6355.6
-
myristoleate (14:1n5)
Myristoleic acid
ME321090
5281119
C08322
5346.9
-
eicosenoate (20:1)
cis-Gondoic acid
ME321019
5282768
C16526
5950
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME321007
5282807
C16533
6034
-
thromboxane B2
TXB2
ME321178
5283137
C05963
4526
-
12-HHTrE
12S-HHTrE
ME320886
5283141
C20388
5175
-
oleoyl ethanolamide
Oleoyl-EA
ME321130
5283454
-
6450
-
cis-4-decenoate (10:1n6)
4Z-Decenoic acid
ME320999
5312351
-
4890
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME320960
5312378
-
5224
-
tetradecadienoate (14:2)
Tetradecadienoic acid
ME321174
5312409
-
5292
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME320882
5312435
-
5555
-
stearidonate (18:4n3)
Stearidonic acid
ME321159
5312508
C16300
5395
-
2-hydroxynervonate
Hydroxynervonic acid
ME320903
5312783
-
6345
-
12-HETE
12-HETE
ME320885
5312983
-
5326
-
adrenate (22:4n6)
Adrenic acid
ME320978
5497181
C16527
5678
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME320956
6426766
C05627
3320
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME321005
6439848
C16525
5730
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME321009
6441454
C16513
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME321010
6441454
C16513
5624.5
-
N-palmitoylserine
N-Palmitoyl serine
ME321113
6453686
-
5557
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME321035
7015683
-
1072
-
indolepropionylglycine
Indolepropionylglycine
ME321070
7677842
-
2926
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME321172
9848818
-
5025
-
N-acetylcarnosine
N-Acetylcarnosine
ME321096
9903482
-
1235
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME321105
9920500
-
858
-
9,10-DiHOME
9,10-DiHOME
ME320974
9966640
C14828
5180
-
12,13-DiHOME
12,13-DiHOME
ME320884
10236635
C14829
5137
-
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME321116
10398396
-
1367
-
isobutyrylglycine
Isobutyrylglycine
ME321072
10855600
-
1420
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME320992
10981970
-
1777
-
phenylacetylglutamate
N-Phenylacetylglutamic acid
ME321141
11579826
-
1630
-
o-cresol sulfate
o-Cresol sulfate
ME321124
11615528
-
2796
-
heneicosapentaenoate (21:5n3)
Heneicosapentaenoic acid
ME321053
11998573
-
5514
-
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME321051
12310288
-
5033
-
2-methoxyacetaminophen glucuronide
2-Methoxyacetaminophen glucuronide
ME320907
14367271
-
1633
-
3-hydroxydodecanedioate
3-Hydroxy-dodecanedioic acid
ME320923
16663321
-
2252
-
4-hydroxycoumarin
4-Hydroxycoumarin
ME320947
54682930
C20414
2470
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME320990
72715786
C20775
530
-
2-hydroxyacetaminophen sulfate
2-Hydroxyacetaminophen sulfate
ME320899
86290013
-
1674
-
2-methoxyacetaminophen sulfate
2-Methoxyacetaminophen sulfate
ME320908
86290014
-
1949
-
androstenediol (3beta,17beta) disulfate (1)
4-Androsten-3beta,17beta-diol disulfate
ME320983
87120982
C04295
3740
-
androstenediol (3beta,17beta) disulfate (2)
4-Androsten-3beta,17beta-diol disulfate
ME320984
87120982
C04295
4065
-
1,2,3-benzenetriol sulfate (2)
-
ME320870
-
-
1709
-
14-HDoHE/17-HDoHE
-
ME320888
-
-
5296
-
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME320889
-
-
4240
-
1-carboxyethylisoleucine
1-Carboxyethylisoleucine
ME320873
-
-
2628
-
1-carboxyethylleucine
1-Carboxyethylleucine
ME320874
-
-
2663
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME320875
-
-
2844
-
1-carboxyethyltyrosine
1-Carboxyethyltyrosine
ME320876
-
-
1846
-
1-carboxyethylvaline
1-Carboxyethylvaline
ME320877
-
-
2008
-
1-linoleoyl-GPG (18:2)
LPG 18:2/0:0
ME320879
-
-
5516
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME320881
-
-
5816
-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
ME320893
-
-
1156
-
(2,4 or 2,5)-dimethylphenol sulfate
-
ME320869
-
-
3474
-
2-ethylphenylsulfate
-
ME320897
-
-
3416
-
2-hydroxyfluorene sulfate
-
ME320902
-
-
4372
-
2-methoxyresorcinol sulfate
-
ME320909
-
-
1863
-
2-methylcitrate/homocitrate
Homocitric acid
ME320910
-
-
575
-
3-acetylphenol sulfate
3-Acetylphenol sulfate
ME320918
-
-
2477
-
3-hydroxyoleate
-
ME320928
-
-
5508
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME320929
-
-
1595.5
-
3-methoxycatechol sulfate (1)
-
ME320931
-
-
2163
-
3-methoxytyramine sulfate
3-Methoxytyramine sulfate
ME320932
-
-
1722
-
3-methyl catechol sulfate (1)
-
ME320933
-
-
2790
-
3-(methylthio)acetaminophen sulfate
-
ME320916
-
-
2265
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME320945
-
-
3805
-
4-ethylphenylsulfate
4-Ethylphenol
ME320946
-
C13637
3580
-
4-hydroxyphenylacetylglutamine
4-Hydroxyphenylacetylglutamine
ME320950
-
-
1650
-
4-methylcatechol sulfate
-
ME320953
-
-
2665
-
4-methylguaiacol sulfate
-
ME320954
-
-
2978
-
4-vinylguaiacol sulfate
4-Vinylguaiacol sulfate
ME320955
-
-
3354
-
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME320966
-
-
3962
-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
-
ME320967
-
-
5060
-
5-hydroxyindole sulfate
-
ME320962
-
-
1928
-
6-bromotryptophan
6-Bromotryptophan
ME320968
-
-
3565
-
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME320969
-
-
2498
-
7-hydroxyindole sulfate
-
ME320972
-
-
1765
-
aconitate [cis or trans]
cis-Aconitic acid
ME320977
-
-
580
-
androstenediol (3alpha, 17alpha) monosulfate (3)
-
ME320982
-
-
5180
-
diclofenac
Diclofenac
ME321004
-
C01690
4903
-
dodecadienoate (12:2)
Dodecadienoic acid
ME321011
-
-
5146
-
dodecenedioate (C12:1-DC)
Traumatic acid
ME321013
-
-
2700
-
eicosenedioate (C20:1-DC)
-
ME321018
-
-
5095
-
Fibrinopeptide A (2-15)
-
ME321022
-
-
2120
-
Fibrinopeptide A (3-15)
-
ME321023
-
-
2419
-
Fibrinopeptide A (3-16)
-
ME321024
-
-
2786
-
Fibrinopeptide A (4-15)
-
ME321025
-
-
2570
-
Fibrinopeptide A (5-16)
-
ME321026
-
-
2850
-
Fibrinopeptide A (7-16)
-
ME321027
-
-
3258
-
Fibrinopeptide A (8-16)
-
ME321028
-
-
3944
-
Fibrinopeptide A, des-ala(1)
-
ME321029
-
-
2535
-
Fibrinopeptide B (1-11)
-
ME321030
-
-
2389
-
Fibrinopeptide B (1-12)
-
ME321031
-
-
2366
-
Fibrinopeptide B (1-13)
-
ME321032
-
-
2482
-
glucuronide of C12H22O4 (1)
-
ME321037
-
-
2590
-
glucuronide of C14H26O4 (1)
-
ME321038
-
-
3200
-
glu-gly-asn-val
-
ME321036
-
-
1000
-
glyco-alpha-muricholate
-
ME321040
-
-
4734
-
glyco-beta-muricholate
Glyco-beta-muricholic acid
ME321041
-
-
4762
-
glycochenodeoxycholate 3-sulfate
Glycochenodeoxycholic acid 3-sulfate
ME321043
-
-
4820
-
glycochenodeoxycholate glucuronide (1)
Glycochenodeoxycholic acid 3-glucuronide
ME321044
-
-
4806
-
glycocholenate sulfate
Glycocholenate sulfate
ME321046
-
-
4750
-
glycodeoxycholate 3-sulfate
Glycodeoxycholic acid 3-sulfate
ME321047
-
-
4875
-
glycohyocholate
Glycohyocholic acid
ME321048
-
-
5020
-
hexadecadienoate (16:2n6)
Hexadecadienoic acid
ME321055
-
-
5398
-
hexadecenedioate (C16:1-DC)
-
ME321057
-
-
4380
-
hexanoylglutamine
Hexanoylglutamine
ME321058
-
-
2780
-
hydroxy-CMPF
-
ME321064
-
-
1516
-
isoeugenol sulfate
-
ME321073
-
-
3893
-
lithocholate sulfate (1)
Lithocholic acid sulfate
ME321081
-
-
4811
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME321085
-
-
2873
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME321084
-
-
1070
-
methylnaphthyl sulfate (1)
-
ME321086
-
-
4117
-
methylnaphthyl sulfate (2)
-
ME321087
-
-
4163
-
N4-acetyl-5-hydroxysulfamethoxazole
-
ME321117
-
-
1745
-
N-linoleoylserine
-
ME321109
-
-
5492
-
N-linoleoyltaurine
N-Linoleoyl taurine
ME321110
-
-
5505
-
N-oleoylserine
NASer 18:1(9Z)
ME321111
-
-
5600
-
N-stearoylserine
N-Stearoyl serine
ME321114
-
-
5777
-
octadecadienedioate (C18:2-DC)
Octadecanedioic acid
ME321126
-
-
4676
-
octadecenedioate (C18:1-DC)
-
ME321128
-
-
4875
-
oleate/vaccenate (18:1)
Oleic acid
ME321129
-
-
5655
-
pregnenediol disulfate (C21H34O8S2)
-
ME321144
-
-
3868
-
pregnenediol sulfate (C21H34O5S)
Pregnenolone sulfate
ME321145
-
-
5000
-
pregnenetriol disulfate
-
ME321146
-
-
3504
-
pregnenetriol sulfate
-
ME321147
-
-
4749
-
propyl 4-hydroxybenzoate sulfate
-
ME321150
-
-
3971
-
salicyluric glucuronide
Salicyluric glucuronide
ME321157
-
-
1463
-
syringol sulfate
-
ME321162
-
-
2395
-
taurochenodeoxycholic acid 3-sulfate
Taurochenodeoxycholic acid 3-sulfate
ME321166
-
-
4809
-
taurocholenate sulfate
Taurocholenate sulfate
ME321168
-
-
4750
-
taurodeoxycholic acid 3-sulfate
Taurodeoxycholic acid 3-sulfate
ME321169
-
-
4850
-
taurohyocholate
Taurohyocholic acid
ME321170
-
-
5000
-
tetradecadienedioate (C14:2-DC)
-
ME321173
-
-
3148
-
tetrahydrocortisol sulfate (1)
-
ME321176
-
-
4276
-
thymol sulfate
-
ME321179
-
C09908
4410
-
tridecenedioate (C13:1-DC)
-
ME321181
-
-
3051
-
Analysis: Reversed phase UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
alpha-ketoglutarate
2-Oxoglutaric acid
ME321220
51
C00026
2700
-
alpha-ketobutyrate
3-Methyl pyruvic acid
ME321218
58
C00109
940
-
2-isopropylmalate
2-Isopropylmalic acid
ME321204
77
C02504
2605
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME321211
87
C06001
1619
-
allantoin
Allantoin
ME321216
204
C02350
1672
-
salicylate
Salicylic acid
ME321265
338
C00805
802
-
pimelate (C7-DC)
Pimelic acid
ME321258
385
C02656
2745
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME321210
441
C01089
1444
-
methylmalonate (MMA)
Methylmalonic acid
ME321249
487
C02170
3078.4
-
lactate
Lactic acid
ME321243
612
C00186
1468.8
-
dihydroorotate
4,5-Dihydroorotic acid
ME321224
648
C00337
1910
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME321198
677
C04039
1050
-
glutarate (C5-DC)
Glutaric acid
ME321236
743
C00489
2900
-
glycerate
Glyceric acid
ME321237
752
C00258
2070.4
-
hydantoin-5-propionate
Hydantoin-5-propionic acid
ME321242
782
C05565
2080
-
myo-inositol
Myo-inositol
ME321251
892
C00137
3506.3
-
orotate
Orotic acid
ME321254
967
C00295
1638.1
-
phenylpyruvate
Phenylpyruvic acid
ME321257
997
C00166
845
-
pyruvate
Pyruvic acid
ME321259
1060
C00022
1083
-
succinate
Succinic acid
ME321268
1110
C00042
3149
-
uracil
Uracil
ME321271
1174
C00106
1089.7
-
xanthine
Xanthine
ME321272
1188
C00385
2023
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME321208
1662
C03761
2850
-
gentisate
Gentisic acid
ME321232
3469
C00628
905
-
sebacate (C10-DC)
Sebacic acid
ME321266
5192
C08277
2147
-
ribose
Ribose
ME321263
5779
C00121
1508.2
-
mannitol/sorbitol
Sorbitol
ME321246
5780
C00794
2320
-
fructose
Fructose
ME321229
5984
C00095
2065
-
quinate
Quinic acid
ME321260
6508
C00296
2432.9
-
arabitol/xylitol
Arabitol
ME321222
6912
C01904
1932.4
-
ribitol
Ribitol
ME321261
6912
C00474
1789.6
-
2,2'-Methylenebis(6-tert-butyl-p-cresol)
-
ME321197
8398
-
703
-
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME321202
10253
C07588
1123.9
-
methylsuccinate
Methylsuccinic acid
ME321250
10349
-
2800
-
suberate (C8-DC)
Suberic acid
ME321267
10457
C08278
2577.6
-
gluconate
Gluconic acid
ME321233
10690
C00257
2922
-
succinimide
Succinimide
ME321269
11439
C07273
2155
-
ethylmalonate
Ethylmalonic acid
ME321227
11756
-
2785
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME321203
11970
C05852
858.6
-
3-methyladipate
3-Methyladipic acid
ME321213
12292
-
2865
-
mannose
Mannose
ME321248
18950
C00159
2200
-
homocitrulline
Homocitrulline
ME321241
65072
C02427
3006.8
-
N-acetylserine
N-Acetylserine
ME321253
65249
-
2000
-
arabinose
Arabinose
ME321221
66308
C00216
1804.5
-
1-methylurate
1-Methyluric acid
ME321193
69726
C16359
1900
-
3-sulfo-L-alanine
Cysteic acid
ME321215
72886
C00506
2890
-
perfluorooctanesulfonate (PFOS)
Perfluorooctanesulfonic acid
ME321256
74483
C18142
662
-
glucose
Glucose
ME321234
79025
C00031
2342
-
N-acetylalanine
N-Acetylalanine
ME321252
88064
C02847
1564.8
-
orotidine
Orotidine
ME321255
92751
-
2250
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME321217
99823
-
1052
-
galactonate
Galactonic acid
ME321231
128869
C00880
3085
-
xylose
Xylose
ME321273
135191
C00181
1727
-
threonate
Threonic acid
ME321270
151152
C01620
2384
-
3-hydroxyadipate
3-Hydroxy-adipic acid
ME321209
151913
-
3131
-
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME321205
161227
C00204
1900
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME321199
193530
C02360
3000
-
erythritol
Erythritol
ME321225
222285
C00503
1491
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME321238
439964
C03274
2430
-
maleate
Maleic acid
ME321244
444266
C01384
2640
-
glucuronate
Glucuronic acid
ME321235
444791
C00191
3233.3
-
fumarate
Fumaric acid
ME321230
444972
C00122
3084
-
3-methylglutaconate
3E-Methylglutaconic acid
ME321214
1551553
-
2700
-
2-hydroxyheptanoate
2-Hydroxy enanthoic acid
ME321201
2750949
-
925
-
erythronate
Erythronic acid
ME321226
2781043
-
2186
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME321212
3017884
-
2411
-
mannonate
Mannonic acid
ME321247
3246006
-
2736
-
ribonate
Ribonic acid
ME321262
5460677
C01685
2425
-
1-oleoyl-GPA (18:1)
LPA 18:1/0:0
ME321194
5497152
-
1433
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME321195
6419701
C04036
1445
-
gulonate
Gulonic acid
ME321239
9794176
C00257
2750
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME321206
10964471
-
1660
-
maltose
Maltose
ME321245
10991489
C00208
3329.4
-
1-arachidonoyl-GPA (20:4)
LPA 20:4/0:0
ME321191
-
-
1393
-
1H-indole-7-acetic acid
1H-Indole-7-acetic acid
ME321196
-
-
922
-
1-linoleoyl-GPA (18:2)
LPA 18:2/0:0
ME321192
-
-
1441
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME321200
-
-
1258
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME321207
-
-
2204
-
alpha-ketoglutaramate
2-Keto-glutaramic acid
ME321219
-
-
1916
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME321223
-
-
2700
-
Fibrinopeptide B (1-9)
-
ME321228
-
-
4416
-
heptenedioate (C7:1-DC)
-
ME321240
-
-
2816
-
ribulonate/xylulonate
-
ME321264
-
-
2350
-
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