Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST003132 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
ME820731
1
C02571
2282
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME820702
43
C02630
958
-
cysteine sulfinic acid
3-Sulfino-alanine
ME820764
109
C00606
597
-
3-ureidopropionate
Ureidopropionic acid
ME820717
111
C02642
875
-
gamma-aminobutyrate (GABA)
gamma-Aminobutyric acid
ME820784
119
C00334
2048
-
deoxycarnitine
3-Dehydroxycarnitine
ME820772
134
C01181
2052
-
5-aminovalerate
5-Aminopentanoic acid
ME820724
138
C00431
2220
-
adenine
Adenine
ME820732
190
C00147
2221
-
anthranilate
2-Aminobenzoic acid
ME820739
227
C00108
2606
-
arginine
Arginine
ME820741
232
C00062
2825
-
beta-alanine
beta-Alanine
ME820746
239
C00099
1905
-
betaine
Betaine
ME820749
247
C00719
1064
-
betaine aldehyde
Betaine aldehyde
ME820750
249
C00576
1915
-
cadaverine
Cadaverine
ME820753
273
C01672
3036
-
choline
Choline
ME820757
305
C00114
1961
-
1-methylnicotinamide
1-Methyl nicotinamide
ME820695
457
C02918
1940
-
2-aminoadipate
alpha-Aminoadipic acid
ME820700
469
C00956
1912
-
5-methylthioribose**
5-Methylthioribose
ME820729
494
-
790
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME820718
500
C01035
2320
-
N-methylproline
N-Methyl-proline
ME820873
557
-
1335
-
2-oxoarginine*
2-Oxoarginine
ME820705
558
C03771
1760
-
creatine
Creatine
ME820760
586
C00300
1947
-
creatinine
Creatinine
ME820761
588
C00791
2055
-
cytosine
Cytosine
ME820771
597
C00380
2060
-
glutamate
Glutamic acid
ME820802
611
C00025
1500
-
dihydroxyacetone phosphate (DHAP)
Dihydroxyacetone phosphate
ME820776
668
C00111
539
-
dimethylglycine
Dimethylglycine
ME820779
673
C01026
1104
-
glycine
Glycine
ME820813
750
C00037
1375
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME820807
754
C00093
580
-
guanidinoacetate
Guanidoacetic acid
ME820818
763
C00581
1937
-
guanine
Guanine
ME820819
764
C00242
2032
-
histamine
Histamine
ME820821
774
C00388
3035
-
imidazole lactate
Imidazolelactic acid
ME820829
793
C05568
2040
-
gamma-glutamylcysteine
gamma-Glutamylcysteine
ME820788
842
C00669
2118
-
pipecolate
Pipecolic acid
ME820901
849
C00408
2200
-
nicotinamide
Niacinamide
ME820886
936
C00153
1942
-
nicotinate
Nicotinic acid
ME820889
938
C00253
1673
-
choline phosphate
Choline phosphate
ME820758
1014
C00588
700
-
picolinate
Picolinic acid
ME820900
1018
C10164
910
-
5-hydroxylysine
5-Hydroxylysine
ME820726
1029
C16741
2790
-
putrescine
Putrescine
ME820906
1045
C00134
3027
-
pyridoxal
Pyridoxal
ME820907
1050
C00250
2343
-
pyridoxamine
Pyridoxamine
ME820908
1052
C00534
2975
-
pyridoxamine phosphate
Pyridoxamine 5'-phosphate
ME820909
1053
C00647
1932
-
phosphate
Phosphoric acid
ME820899
1061
C00009
576
-
quinolinate
Quinolinic acid
ME820911
1066
C03722
845
-
sarcosine
Sarcosine
ME820916
1088
C00213
1280
-
spermidine
Spermidine
ME820919
1102
C00315
3355
-
spermine
Spermine
ME820920
1103
C00750
3350
-
thiamin (Vitamin B1)
Thiamine
ME820923
1130
C00378
3050
-
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME820722
1136
C04294
2310
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME820931
1145
C01104
2100
-
tryptamine
Tryptamine
ME820932
1150
C00398
3062
-
urea
Urea
ME820936
1176
C00086
700
-
xanthine
Xanthine
ME820939
1188
C00385
1032
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME820913
1196
C04322
1528
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME820725
1826
C05635
1893
-
dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME820775
1879
C00268
1930
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME820755
2572
-
2085
-
1-methylhistamine
1-Methylhistamine
ME820693
3614
C05127
3040
-
serotonin
Serotonin
ME820918
5202
C00780
2550
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME820930
5570
C01004
1388
-
xanthurenate
Xanthurenic acid
ME820940
5699
C02470
2236
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME820928
5810
C01157
1064
-
cysteine
Cysteine
ME820763
5862
C00097
1475
-
alanine
Alanine
ME820736
5950
C00041
1700
-
serine
Serine
ME820917
5951
C00065
1239
-
aspartate
Aspartic acid
ME820745
5960
C00049
1165
-
glutamine
Glutamine
ME820804
5961
C00064
1291
-
lysine
Lysine
ME820840
5962
C00047
2850
-
tyrosine
Tyrosine
ME820935
6057
C00082
2430
-
adenosine 5'-monophosphate (AMP)
AMP
ME820734
6083
C00020
1013
-
leucine
Leucine
ME820837
6106
-
2864
-
cytidine 5'-monophosphate (5'-CMP)
CMP
ME820770
6131
C00055
835
-
methionine
Methionine
ME820842
6137
C00073
2526
-
phenylalanine
Phenylalanine
ME820896
6140
C00079
2878
-
cytidine
Cytidine
ME820768
6175
C00475
2124
-
dimethyl sulfone
Dimethyl sulfone
ME820777
6213
C11142
832
-
ornithine
Ornithine
ME820893
6262
C00077
2800
-
asparagine
Asparagine
ME820744
6267
C00152
1225
-
threonine
Threonine
ME820926
6288
C00188
1514
-
tryptophan
Tryptophan
ME820933
6305
C00078
2986
-
isoleucine
Isoleucine
ME820833
6306
C00407
2800
-
pantothenate
Pantothenic acid
ME820894
6613
C00864
1667
-
guanosine 5'- monophosphate (5'-GMP)
GMP
ME820820
6804
C00144
800
-
inosine 5'-monophosphate (IMP)
IMP
ME820831
8582
C00130
650
-
citrulline
Citrulline
ME820759
9750
C00327
1520
-
1-methylguanidine
Methylguanidine
ME820692
10111
C02294
2149
-
3-formylindole
1H-Indole-3-carboxaldehyde
ME820710
10256
C08493
2736
-
4-hydroxybutyrate (GHB)
4-Hydroxybutyric acid
ME820719
10413
C00989
1148
-
mevalonolactone
Mevalonolactone
ME820847
10428
-
1375
-
carnitine
Carnitine
ME820756
10917
C00318
1978
-
N-acetylglycine
N-Acetylglycine
ME820862
10972
-
826
-
7-methylguanine
7-Methylguanine
ME820730
11361
C02242
2175
-
N-acetylcysteine
N-Acetylcysteine
ME820857
12035
C06809
1416
-
2-piperidinone
2-Piperidinone
ME820706
12665
-
1675
-
methylphosphate
Methanolphosphate
ME820846
13130
-
544
-
2'-deoxycytidine
Deoxycytidine
ME820697
13711
C00881
2193
-
2'-deoxyadenosine
Deoxyadenosine
ME820696
13730
C00559
2252
-
2'-deoxycytidine 5'-monophosphate
dCMP
ME820698
13945
C00239
975
-
argininosuccinate
Argininosuccinic acid
ME820742
16950
C03406
2745
-
fucose
Fucose
ME820783
17106
C01018
750
-
S-methylcysteine
Methylcysteine
ME820915
24417
-
1955
-
N1-methyladenosine
1-Methyladenosine
ME820877
27476
C02494
2120
-
S-adenosylmethionine (SAM)
S-Adenosylmethionine
ME820914
34756
C00019
3002
-
adenosine
Adenosine
ME820733
60961
C00212
2169
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME820709
64956
C05145
2190
-
3-methylhistidine
3-Methylhistidine
ME820714
64969
C01152
2670
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME820855
65065
C01042
880
-
homocitrulline
Homocitrulline
ME820825
65072
C02427
1908
-
N1-methylinosine
1-Methylinosine
ME820878
65095
-
1430
-
N-acetylserine
N-Acetylserine
ME820868
65249
-
800
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME820785
65254
-
2784
-
glutathione, oxidized (GSSG)
Oxidized glutathione
ME820805
65359
C00127
2667
-
N-acetylarginine
N-Acetylarginine
ME820853
67427
C02562
2245
-
cystine
Cystine
ME820767
67678
C00491
2000
-
beta-guanidinopropanoate
3-Guanidinopropanoic acid
ME820747
67701
C03065
2145
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME820803
68662
-
2170
-
3-phosphoserine
Phosphoserine
ME820715
68841
C01005
591
-
N-acetylhistamine
N-Acetylhistamine
ME820863
69602
C05135
2287
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME820875
69698
C05842
1250
-
methionine sulfone
Methionine sulfone
ME820843
69961
-
1250
-
imidazole propionate
Imidazole propanoate
ME820830
70630
-
2263
-
N-methyl-GABA
4-(Methylamino)butyric acid
ME820871
70703
C15987
2109
-
N-acetylglutamate
N-Acetylglutamic acid
ME820860
70914
C00624
1050
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME820811
71920
C00670
672
-
nicotinamide N-oxide
Nicotinamide N-oxide
ME820887
72661
-
877
-
N-acetylhistidine
N-Acetylhistidine
ME820864
75619
C02997
2065
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME820689
75810
C05828
2064
-
O-methyltyrosine
O-Methyltyrosine
ME820891
76957
-
2790
-
1-methyladenine
1-Methyladenine
ME820691
78821
C02216
2133
-
leucylglycine
Leu-Gly
ME820839
79070
-
2778
-
glycylisoleucine
Gly-Ile
ME820815
88079
-
3002
-
1-methylhistidine
1-Methylhistidine
ME820694
92105
C01152
2755
-
glycylleucine
Gly-Leu
ME820816
92843
C02155
3059
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME820789
92865
C05282
1775
-
histidine methyl ester
-
ME820823
92893
-
3080
-
5-methylcytidine
5-Methylcytidine
ME820727
92918
-
2227
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME820879
92919
-
2210
-
thioproline
Thioproline
ME820925
93176
-
1250
-
2-methylserine
2-Methylserine
ME820704
94309
C02115
1652
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME820800
94340
-
2518
-
4-imidazoleacetate
Imidazoleacetic acid
ME820721
96215
C02835
2055
-
glycylvaline
Gly-Val
ME820817
97417
-
2734
-
phenylalanylglycine
Phe-Gly
ME820898
98207
-
2898
-
N-acetylasparagine
N-Acetylasparagine
ME820854
99715
-
785
-
N4-acetylcytidine
N4-Acetylcytidine
ME820880
107461
-
1580
-
propionylcarnitine (C3)
CAR 3:0
ME820905
107738
C03017
2590
-
hypotaurine
Hypotaurine
ME820828
107812
C00519
724
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME820796
111299
-
2992
-
anserine
Anserine
ME820738
112072
C01262
2924
-
stachydrine
Stachydrine
ME820921
115244
C10172
1440
-
N-acetylputrescine
N-Acetylputrescine
ME820867
122356
C02714
2230
-
fructosyllysine
Fructosyllysine
ME820782
123708
-
2784
-
2-pyrrolidineacetic acid
2-Pyrrolidineacetic acid
ME820707
123784
-
2248
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME820884
123800
-
2500
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME820859
123826
C04540
1212
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME820778
123831
C03626
2850
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME820808
123874
C01233
659
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME820723
123986
-
2755
-
glutathione, reduced (GSH)
Glutathione
ME820806
124886
C00051
2000
-
3-methylglutarylcarnitine (2)
CAR DC5:0;3Me
ME820713
128145
-
2687
-
N-monomethylarginine
Targinine
ME820874
132862
C03884
2845
-
pyroglutamine*
Pyroglutamine
ME820910
134508
-
1900
-
proline
Proline
ME820903
145742
C00148
1603
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME820790
150914
C05283
1430
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME820699
150971
-
2411
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME820794
151023
-
2991
-
methionine sulfoxide
Methionine sulfoxide
ME820844
158980
C02989
1272
-
3-methylcytidine
3-Methylcytidine
ME820712
159649
-
2176
-
argininate*
Argininic acid
ME820740
160437
-
2150
-
3-ureidoisobutyrate
Ureidoisobutyric acid
ME820716
160663
C05100
1207
-
kynurenine
Kynurenine
ME820836
161166
C00328
2739
-
nicotinate ribonucleoside
D-Ribosylnicotinate
ME820890
161234
C05841
1536
-
N6-methyllysine
N(6)-Methyllysine
ME820885
164795
C02728
2831
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME820791
165527
-
1535
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME820810
167572
-
516
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME820832
168379
-
2810
-
isoputreanine
Isoputreanine
ME820834
171763
-
3043
-
N-acetylglutamine
N-Acetylglutamine
ME820861
182230
C02716
845
-
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME820882
193344
C05545
2831
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME820865
193368
-
880
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME820701
227939
-
3160
-
alanylleucine
Ala-Leu
ME820737
259583
-
3055
-
tryptophylglycine
Trp-Gly
ME820934
263471
-
2930
-
N-acetylproline
N-Acetyl-proline
ME820866
322640
-
1695
-
valylleucine
Val-Leu
ME820938
352039
-
3138
-
N-carbamoylalanine
N-Carbamoylalanine
ME820870
426409
-
950
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME820728
439176
C00170
2752
-
N-alpha-acetylornithine
N-Acetylornithine
ME820869
439232
C00437
2000
-
formiminoglutamate
Formiminoglutamic acid
ME820781
439233
C00439
1880
-
cystathionine
Cystathionine
ME820762
439258
C02291
2270
-
cysteinylglycine
Cys-Gly
ME820766
439498
C01419
2132
-
diacetylchitobiose
N,N'-Diacetylchitobiose
ME820773
439544
C01674
790
-
butyrylcarnitine (C4)
CAR 4:0
ME820752
439829
C02862
2860
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME820720
439902
C03079
1141
-
nicotinamide riboside
Nicotinamide riboside
ME820888
439924
C03150
2040
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME820809
439964
C03274
520
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME820881
440120
C03793
2825
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME820876
440810
C05843
1260
-
homostachydrine*
(S)-Homostachydrine
ME820826
441447
C08283
1750
-
riboflavin (Vitamin B2)
Riboflavin
ME820912
493570
C00255
2292
-
N-acetylcitrulline
N-Acetylcitrulline
ME820856
656979
C15532
1010
-
trans-urocanate
Urocanic acid
ME820929
736715
C00785
2285
-
ergothioneine
Ergothioneine
ME820780
3032311
C05570
850
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME820812
3081457
-
577
-
histidine betaine (hercynine)*
Hercynine
ME820822
3083620
-
2094
-
thiamin monophosphate
Thiamine monophosphate
ME820924
3382778
C01081
2378
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME820799
3989307
-
2975
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME820765
4247235
-
2465
-
leucylglutamine*
Leu-Gln
ME820838
4305457
-
2620
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME820708
5200225
-
2065
-
valylglutamine
Val-Gln
ME820937
5253209
-
2295
-
N-methylalanine
N-Methylalanine
ME820872
5288725
C02721
1580
-
glycitein
Glycitein
ME820814
5317750
C14536
3245
-
N,N-dimethylalanine
N,N-Dimethylalanine
ME820850
5488191
-
1370
-
phenylalanylalanine
Phe-Ala
ME820897
5488196
-
2909
-
prolylglycine
Pro-Gly
ME820904
6426709
-
2136
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME820835
6426851
-
3085
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME820703
6426901
-
3050
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME820690
6451814
-
1989
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME820795
7009567
-
2640
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME820801
7015683
-
2700
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME820786
7015685
-
2725
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME820792
7017195
-
2740
-
ophthalmate
Ophthalmic acid
ME820892
7018721
-
2085
-
homocarnosine
Homocarnosine
ME820824
10243361
C00884
2960
-
N,N-dimethylvaline
-
ME820851
11008044
-
2186
-
pro-hydroxy-pro
Pro-hydroxyPro
ME820902
11673055
-
2128
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME820793
14253342
-
2940
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME820848
14274897
-
2186
-
N6-carboxyethyllysine
N(6)-(2-Carboxyethyl)-lysine
ME820883
22283604
-
2695
-
malonylcarnitine
CAR DC3:0
ME820841
22833583
-
2086
-
tiglylcarnitine (C5:1-DC)
CAR DC5:1
ME820927
22833596
-
2962
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME820687
53481617
-
2400
-
ascorbate (Vitamin C)
Vitamin C
ME820743
54670067
C00072
770
-
adipoylcarnitine (C6-DC)
CAR DC5:0
ME820735
71296139
-
2570
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME820922
71464481
-
2291
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME820798
76078708
-
1750
-
diacetylspermidine*
-
ME820774
87485212
-
2510
-
phenylacetylcarnitine
-
ME820895
101724840
-
3092
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME820852
131802901
-
2305
-
3-hydroxyhexanoylcarnitine (1)
CAR 6:0;3OH
ME820711
-
-
2918
-
beta-hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME820748
-
-
2584
-
butenoylcarnitine (C4:1)
CAR 4:1
ME820751
-
-
2765
-
carboxy-methyl-arginine
-
ME820754
-
-
2778
-
cytidine 2' or 3'-monophosphate (2' or 3'-CMP)
-
ME820769
-
-
847
-
gamma-glutamylcitrulline*
-
ME820787
-
-
1644
-
gamma-glutamylserine
gamma-Glu-Ser
ME820797
-
-
1351
-
hydroxy-N6,N6,N6-trimethyllysine*
-
ME820827
-
-
2759
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME820845
-
-
832
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME820686
-
-
3080
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME820858
-
-
715
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME820849
-
-
2470
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME820688
-
-
2340
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
palmitoylcarnitine (C16)
CAR 16:0
ME821063
461
C02990
1425
-
3-ketosphinganine
3-Ketosphinganine
ME821016
631
C02934
1400
-
alpha-tocopherol acetate
Tocopherol acetate
ME821019
2117
C13202
2702
-
sphinganine
Sphinganine
ME821068
3126
C00836
1413
-
alpha-tocopherol
alpha-Tocopherol
ME821018
14985
C02477
2522
-
heme
Heme
ME821036
26945
C00032
1124
-
solanidine
Solanidine
ME821067
65727
C06543
1010
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME820997
86554
-
1525
-
4-cholesten-3-one
Cholestenone
ME821017
91477
C00599
2520
-
phytosphingosine
Phytosphingosine
ME821065
122121
C12144
1367
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME820972
129657
-
2147
-
palmitoylcholine
Palmitoylcholine
ME821064
151731
-
1482
-
campesterol
Campesterol
ME821025
173183
C01789
2873
-
desmosterol
Desmosterol
ME821031
439577
C01802
2364
-
retinol (Vitamin A)
Retinol
ME821066
445354
C00473
1636
-
1,2-dipalmitoyl-GPE (16:0/16:0)*
PE 16:0/16:0
ME820946
445468
-
2498
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME820945
452110
-
2365
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME821011
497299
-
1606
-
bilirubin (Z,Z)
Bilirubin
ME821024
5280352
C00486
1840
-
oleoyl ethanolamide
Oleoyl-EA
ME821056
5283454
-
1661
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME820990
5283496
-
2509
-
1-palmitoyl-2-oleoyl-GPS (16:0/18:1)
PS 16:0/18:1
ME820993
5283499
C13880
2660
-
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)
PG 16:0/18:1
ME820991
5283509
-
3206
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME821053
5283564
-
2893
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME821055
5283565
-
3392
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME821052
5283572
-
3090
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME820988
5287971
-
2160
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME820942
5288075
-
2006
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME821000
5289133
-
2424
-
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*
PE 16:0/18:0
ME820996
5326793
-
2850
-
sphingosine
Sphingosine
ME821077
5353955
C00319
1393
-
myristoylcarnitine (C14)
CAR 14:0
ME821046
6426854
-
1350
-
stearoylcarnitine (C18)
CAR 18:0
ME821079
6426855
-
1485
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME820989
6436017
-
2358
-
oleoylcarnitine (C18:1)
CAR 18:1
ME821057
6441392
-
1423
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME820986
6441886
-
2023
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME821041
6450015
-
1430
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME821078
6453725
C00550
2400
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME821006
9546749
-
2522
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*
PE 18:1/18:2
ME820977
9546753
-
2270
-
1,2-dioleoyl-GPE (18:1/18:1)
PE 18:1/18:1
ME820944
9546757
-
2485
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*
PE 18:0/22:6
ME821004
9546798
-
2317
-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*
PE 16:0/22:6
ME820987
9546799
-
2119
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME820983
9546800
-
2198
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME820959
9547058
-
2511
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME821012
9547068
-
1626
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME820998
9547069
-
1544
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME820979
9547071
-
1554
-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)
PS 18:0/18:1
ME821010
9547087
-
3000
-
1-stearoyl-2-linoleoyl-GPS (18:0/18:2)
PS 18:0/18:2
ME821007
9547091
-
2689
-
N-stearoyl-phytosphingosine (t18:0/18:0)*
-
ME821054
9898642
-
3020
-
N-oleoyl-alanine
-
ME821048
9906565
-
1676
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME821062
9939941
-
2168
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME821061
9939965
-
2290
-
1,2-dioleoyl-GPC (18:1/18:1)
PC 18:1/18:1
ME820943
10350317
-
2346
-
N-palmitoyl-phytosphingosine (t18:0/16:0)
Cer 18:0;O3/16:0
ME821050
10506988
-
2632
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME820982
10747814
-
2091
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME820957
10917802
-
1547
-
cholesterol
Cholesterol
ME821030
11025495
C00187
2707
-
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...
PC P-16:0/16:0 or PC O-16:1/16:0
ME820956
11146967
-
2454
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME821071
11433862
-
1998
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME820969
11988421
C04100
1465
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME820978
16081932
-
1540
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME820999
16219824
-
2300
-
1-palmitoleoyl-GPC (16:1)*
LPC 16:1/0:0
ME820981
24779461
-
1450
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME820963
42607465
-
1470
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME820970
52925130
-
1482
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME821059
71464547
-
1357
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME821044
90659872
-
1316
-
1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)*
PE P-18:1/18:1
ME820947
-
-
2534
-
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME820948
-
-
1566
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME820949
-
-
2154
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME820950
-
-
2270
-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...
PC P-16:0/18:2 or PC O-16:1/18:2
ME820951
-
-
2226
-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...
PE P-16:0/18:2 or PE O-16:1/18:2
ME820952
-
-
2351
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*
PC P-16:0/18:1 or PC O-16:1/18:1
ME820953
-
-
2443
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*
PE P-16:0/18:1 or PE O-16:1/18:1
ME820954
-
-
2600
-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...
PC P-16:0/16:1 or PC O-16:1/16:1
ME820955
-
-
2218
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME820958
-
-
1558
-
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)
PE P-18:0/18:1 or PE O-18:1/18:1
ME820960
-
-
2950
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME820961
-
-
1649
-
1,2-dilinolenoyl-GPC (18:3/18:3)*
PC 18:3/18:3
ME820941
-
-
1800
-
1-arachidonoyl-GPC (20:4n6)*
LPC 20:4/0:0
ME820962
-
C05208
1460
-
1-lignoceroyl-GPC (24:0)
LPC 24:0/0:0
ME820964
-
-
1907
-
1-linolenoyl-GPC (18:3)*
LPC 18:3
ME820965
-
-
1410
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*
PC 18:2/20:4
ME820966
-
-
1969
-
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*
PE 18:2_20:4
ME820967
-
-
2030
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*
PC 18:2/18:3
ME820968
-
-
1939
-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*
PC 14:0/20:4
ME820971
-
-
1914
-
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*
PE 18:1/20:4
ME820973
-
-
2200
-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*
PC 18:1/22:6
ME820974
-
-
2011
-
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*
PE 18:1/22:6
ME820975
-
-
2119
-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*
PC 18:1/18:2
ME820976
-
-
2165
-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*
PC 16:1_18:3
ME820980
-
-
1850
-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*
PI 16:0/20:4
ME820984
-
-
2567
-
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...
-
ME820985
-
-
2199
-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*
PI 16:0/18:1
ME820992
-
-
3140
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME820994
-
-
2160
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME820995
-
-
2653
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME821001
-
-
3000
-
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)
PS 18:0/20:4
ME821002
-
-
2565
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME821003
-
-
2197
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME821005
-
-
2380
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME821008
-
-
2644
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME821009
-
-
2858
-
3-hydroxydecanoylcarnitine
CAR 10:0;3OH
ME821013
-
-
961
-
3-hydroxyoleoylcarnitine
CAR 18:1(9Z);3OH
ME821014
-
-
1406
-
3-hydroxypalmitoylcarnitine
CAR 16:0;3OH
ME821015
-
-
1380
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME821020
-
-
1353
-
arachidoylcarnitine (C20)*
CAR 20:0
ME821021
-
-
1512
-
behenoylcarnitine (C22)*
CAR 22:0
ME821023
-
-
1561
-
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME821022
-
-
3083
-
carotene diol (1)
Carotene diol
ME821026
-
-
1720
-
carotene diol (2)
Carotene diol
ME821027
-
-
1904
-
ceramide (d18:1/14:0, d16:1/16:0)*
Cer 36:1;O2
ME821028
-
-
2477
-
ceramide (d18:1/17:0, d17:1/18:0)*
Cer 35:1;O2
ME821029
-
-
3055
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)*
CAR 20:3
ME821032
-
-
1392
-
eicosanoylsphingosine (d20:1)*
-
ME821033
-
-
1443
-
erucoylcarnitine (C22:1)*
CAR 22:1
ME821034
-
-
1535
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME821035
-
-
2623
-
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**
-
ME821037
-
-
2056
-
lignoceroylcarnitine (C24)*
CAR 24:0
ME821039
-
-
1603
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME821038
-
-
3437
-
linoleoylcholine*
alpha-Linoleoylcholine
ME821042
-
-
1388
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME821040
-
-
2720
-
margaroylcarnitine (C17)*
CAR 17:0
ME821043
-
-
1424
-
myristoyl dihydrosphingomyelin (d18:0/14:0)*
SM 18:0;O2/14:0
ME821045
-
-
2060
-
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...
-
ME821047
-
-
2692
-
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*
-
ME821049
-
-
2645
-
N-palmitoyl-sphingadienine (d18:2/16:0)*
Cer 18:2;O2/16:0
ME821051
-
-
2490
-
oleoylcholine
Oleoylcholine
ME821058
-
-
1449
-
palmitoloelycholine
-
ME821060
-
-
1385
-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...
SM 33:1;O2
ME821069
-
-
2082
-
sphingomyelin (d18:0/18:0, d19:0/17:0)*
SM 36:0;O2
ME821070
-
-
2362
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME821072
-
-
2312
-
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME821073
-
-
2685
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME821074
-
-
3033
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME821075
-
-
2002
-
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME821076
-
-
2635
-
stearoylcholine*
Stearoylcholine
ME821080
-
-
1520
-
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
ME821418
45
C02287
610
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME821192
47
C00671
2064.2
-
4-methyl-2-oxopentanoate
Ketoleucine
ME821204
70
C00233
2170
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME821176
91
C11457
1980
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME821193
107
C05629
2860
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME821201
127
C00642
1361
-
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME821198
135
C00156
820
-
5-methyltetrahydrofolate (5MeTHF)
5-Methyl-THF
ME821212
146
C00440
1820
-
adenosine 5'-diphosphoribose (ADP-ribose)
ADP-ribose
ME821228
192
C00301
920
-
adenylosuccinate
Adenylsuccinic acid
ME821229
195
C03794
560
-
benzoate
Benzoic acid
ME821237
243
C00180
1750
-
butyrate/isobutyrate (4:0)
Butyric acid
ME821241
264
C00246
1062
-
citrate
Citric acid
ME821255
311
C00158
582
-
coenzyme A
Coenzyme A
ME821257
317
C00010
1448
-
caprylate (8:0)
Caprylic acid
ME821246
379
C06423
4362
-
hippurate
Hippuric acid
ME821321
464
C01586
2106.9
-
malate
Malic acid
ME821342
525
C00149
615.6
-
sedoheptulose-7-phosphate
Sedoheptulose 7-phosphate
ME821409
616
C05382
599.6
-
5,6-dihydrouracil
Dihydrouracil
ME821208
649
C00429
1120
-
flavin mononucleotide (FMN)
FMN
ME821294
710
C00061
2390
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME821194
724
C00597
583
-
glycerol
Glycerol
ME821306
753
C00116
758
-
hypoxanthine
Hypoxanthine
ME821325
790
C00262
1291.2
-
indoleacetate
Indoleacetic acid
ME821328
802
C00954
2200
-
naringenin
Naringenin
ME821373
932
C00509
3437
-
oxalate (ethanedioate)
Oxalic acid
ME821382
971
C00209
603
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME821203
979
C01179
1690
-
palmitate (16:0)
Palmitic acid
ME821385
985
C00249
5618
-
phosphopantetheine
Pantetheine 4'-phosphate
ME821396
987
C01134
1597
-
phenylacetate
Phenyl acetate
ME821391
999
C07086
2150
-
phosphoenolpyruvate (PEP)
Phosphoenolpyruvic acid
ME821394
1005
C00074
587.3
-
phosphoethanolamine
Phosphoethanolamine
ME821395
1015
C00346
638
-
pyridoxal phosphate
Pyridoxal 5'-phosphate
ME821402
1051
C00018
943
-
sulfate*
Sulfate
ME821417
1118
C00059
616
-
taurine
Taurine
ME821419
1123
C00245
690
-
thymine
Thymine
ME821433
1135
C00178
1654
-
urate
Uric acid
ME821437
1175
C00366
757.1
-
azelate (C9-DC)
Azelaic acid
ME821235
2266
C08261
1276
-
caprate (10:0)
Capric acid
ME821244
2969
C01571
5090.7
-
gentisate
Gentisic acid
ME821305
3469
C00628
1459.8
-
guanosine 3'-monophosphate (3'-GMP)
Guanosine 3'-monophosphate
ME821313
3522
-
773.9
-
indolepropionate
3-Indolepropionic acid
ME821330
3744
-
2795
-
kynurenate
Kynurenic acid
ME821336
3845
C01717
2224
-
phenyllactate (PLA)
Phenyllactic acid
ME821393
3848
C05607
2208
-
laurate (12:0)
Lauric acid
ME821337
3893
C02679
5300
-
palmitoyl ethanolamide
Palmitoyl-EA
ME821387
4671
C16512
6300
-
stearate (18:0)
Stearic acid
ME821414
5281
C01530
5872
-
thymidine
Thymidine
ME821431
5789
C00214
1963.7
-
nicotinamide adenine dinucleotide (NAD+)
NAD
ME821375
5893
C00003
1434
-
inosine
Inosine
ME821331
6021
C00294
1602.1
-
adenosine 5'-diphosphate (ADP)
ADP
ME821227
6022
C00008
680
-
uridine
Uridine
ME821438
6029
C00299
1457.6
-
uridine 5'-monophosphate (UMP)
UMP
ME821442
6030
C00105
627
-
uridine 5'-diphosphate (UDP)
UDP
ME821441
6031
C00015
599.5
-
folate
Folic acid
ME821300
6037
C00504
1467
-
histidine
Histidine
ME821322
6274
C00135
755.9
-
valine
Valine
ME821446
6287
C00183
909.4
-
taurocholate
Taurocholic acid
ME821423
6675
C05122
5150
-
pyridoxate
4-Pyridoxic acid
ME821403
6723
C00847
2185
-
guanosine
Guanosine
ME821311
6802
C00387
1662
-
5-oxoproline
Pyroglutamic acid
ME821214
7405
C01879
738.5
-
valerate (5:0)
Valeric acid
ME821445
7991
C00803
1718
-
heptanoate (7:0)
Heptylic acid
ME821316
8094
C17714
3670
-
undecanoate (11:0)
Undecylic acid
ME821436
8180
C17715
5219.2
-
behenate (22:0)*
Behenic acid
ME821236
8215
C08281
6745
-
caproate (6:0)
Caproic acid
ME821245
8892
C01585
2713.7
-
5-hydroxytryptophol
5-Hydroxytryptophol
ME821211
9061
-
2465
-
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME821149
9338
-
2575
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME821178
9378
C03672
1379
-
thymidine 5'-monophosphate
TMP
ME821432
9700
C00364
883
-
lithocholate
Lithocholic acid
ME821341
9903
C03990
5372
-
glycocholate
Glycocholic acid
ME821310
10140
C01921
5163
-
3-indoxyl sulfate
Indoxyl sulfate
ME821191
10258
-
2222.2
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME821179
10394
C01744
1670
-
isovalerate (i5:0)
Isovaleric acid
ME821334
10430
C08262
1564
-
suberate (C8-DC)
Suberic acid
ME821416
10457
C08278
804.3
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME821318
10459
C19615
4615
-
margarate (17:0)
Margaric acid
ME821344
10465
-
5731
-
16-hydroxypalmitate
Juniperic acid
ME821142
10466
C18218
5236.2
-
arachidate (20:0)
Arachidic acid
ME821233
10467
C06425
6240
-
raffinose
Raffinose
ME821405
10542
C00492
978
-
myristate (14:0)
Myristic acid
ME821346
11005
C06424
5440
-
nonadecanoate (19:0)
Nonadecenoic acid
ME821377
12591
C16535
6068
-
2'-deoxyadenosine 5'-monophosphate
dAMP
ME821144
12599
C00360
1315
-
2'-deoxyuridine
Deoxyuridine
ME821147
13712
C00526
1586
-
pentadecanoate (15:0)
Pentadecylic acid
ME821388
13849
C16537
5521
-
dihydroferulate
Dihydroferulic acid
ME821268
14340
-
1928
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME821128
14900
-
6550
-
pseudouridine
Pseudouridine
ME821400
15047
C02067
1100
-
UDP-glucuronate
UDP-glucuronic acid
ME821435
17473
C00167
588
-
4-acetamidobenzoate
4-Acetamidobenzoic acid
ME821195
19266
D03836
1403
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME821158
21488
-
4840
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME821183
26612
-
4634.7
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME821185
26613
-
3446
-
I-urobilinogen
Mesobilirubinogen
ME821326
26818
C05790
4190
-
adenosine 3'-monophosphate (3'-AMP)
3'-AMP
ME821226
41211
C01367
1245
-
xanthosine
Xanthosine
ME821450
64959
C01762
1075
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME821097
64960
C07326
802
-
2'-deoxyinosine
Deoxyinosine
ME821146
65058
C05512
1688
-
N-acetylvaline
N-Acetylvaline
ME821357
66789
-
1704
-
phenylacetylglycine
Phenylacetylglycine
ME821392
68144
C05598
2375
-
N-acetyltyrosine
N-Acetyltyrosine
ME821356
68310
-
1680
-
taurocyamine
Taurocyamine
ME821425
68340
C01959
734
-
2-hydroxystearate
2-Hydroxystearic acid
ME821162
69417
C03045
5695
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME821221
69820
-
2300
-
indole-3-carboxylate
Indole-3-carboxylic acid
ME821327
69867
C19837
1710
-
N-acetylleucine
N-Acetylleucine
ME821349
70912
C02710
2400
-
pterin
Pterin
ME821401
73000
C00715
1370
-
3-indoleglyoxylic acid
-
ME821190
73863
-
2140
-
phenol sulfate
Phenyl hydrogen sulfate
ME821390
74426
C02180
2156
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME821351
74839
C03519
2597
-
1-myristoylglycerol (14:0)
MG 16:3
ME821118
79050
C01885
6353.3
-
phenol glucuronide
Phenyl glucuronide
ME821389
87235
-
1800
-
butyrylglycine
-
ME821242
88412
-
1470
-
1-stearoyl-GPA (18:0)
LPA 18:0/0:0
ME821130
89567
-
5829
-
equol
Equol
ME821282
91469
C14131
4565
-
hyocholate
Hyocholic acid
ME821324
92805
C17649
5046
-
guanosine-2',3'-cyclic monophosphate
2',3' cyclic GMP
ME821315
92823
C06194
1480
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME821160
92836
-
5511.2
-
5,6-dihydrothymine
Dihydrothymine
ME821207
93556
C00906
1637.8
-
adenosine 2'-monophosphate (2'-AMP)
Adenosine 2'-phosphate
ME821224
94136
C00946
1497.7
-
(3'-5')-adenylyladenosine*
ApA
ME821085
94231
-
2173
-
12-dehydrocholate
12-Ketochenodeoxycholic acid
ME821138
94235
-
4871
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME821209
94312
-
1119
-
hexanoylglycine
-
ME821320
99463
-
2900
-
uridine 3'-monophosphate (3'-UMP)
3'-UMP
ME821440
101543
C01368
750
-
2'-O-methyluridine
2'-O-Methyluridine
ME821148
102212
-
1831
-
(3'-5')-uridylyluridine
UpU
ME821094
102258
-
1688
-
1-margaroylglycerol (17:0)
MG 17:0
ME821116
107036
-
6571
-
(3'-5')-guanylylcytidine
GpC
ME821091
107595
-
1670
-
(3'-5')-adenylyluridine
ApU
ME821088
112074
-
2002
-
taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME821427
119046
-
5073
-
ethyl beta-glucopyranoside
-
ME821287
121667
-
1519
-
soyasaponin I
Soyasaponin I
ME821410
122097
C08983
5163
-
pyrraline
Pyrraline
ME821404
122228
-
2304
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME821171
123409
-
6400
-
enterodiol
Enterodiol
ME821279
123725
-
4327
-
2-hydroxysebacate
2-Hydroxy-decanedioic acid
ME821161
128458
-
1324
-
valylglycine
Val-Gly
ME821447
136487
-
1506
-
2-myristoylglycerol (14:0)
MG 0:0/14:0/0:0
ME821165
137938
-
6230
-
N-palmitoylglycine
-
ME821368
151008
-
5580
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME821200
151012
-
1475
-
(12 or 13)-methylmyristate (a15:0 or i15:0)
Isopentadecylic acid
ME821081
151014
-
5499
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME821184
151492
-
1725
-
N-acetylthreonine
N-Acetylthreonine
ME821354
152204
-
821.6
-
ethyl glucuronide
Ethyl glucuronide
ME821288
152226
-
793
-
p-cresol glucuronide*
P-Cresol glucuronide
ME821383
154035
-
2420
-
adenosine 3',5'-diphosphate
Adenosine 3',5'-diphosphate
ME821225
159296
C00054
575
-
dehydrolithocholate
Dehydrolithocholic acid
ME821263
159623
-
5360
-
3-dehydrocholate
3-Dehydrocholic acid
ME821180
159655
-
5050
-
N-acetyltaurine
N-Acetyltaurine
ME821353
159864
-
800
-
3-dehydrodeoxycholate
3-Ketodeoxycholic acid
ME821181
160738
-
5235
-
hydroquinone sulfate
Quinol sulfate
ME821323
161220
C00530
1395
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME821371
161466
-
2164
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME821155
164623
-
1800
-
6-oxolithocholate
6-Ketolithocholic acid
ME821217
164960
-
5033
-
N6-succinyladenosine
Succinyladenosine
ME821372
165243
-
940
-
1,1-kestotetraose
-
ME821095
166775
-
1381
-
N-stearoyltaurine
NATaurine 18:0
ME821370
168274
-
5782
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME821420
168408
-
4774
-
soyasaponin II
Soyasaponin II
ME821411
171435
C12081
5175
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME821150
181670
-
1677
-
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME821177
187488
-
1294
-
dihydroferulic acid sulfate
Dihydroferulic acid 4-sulfate
ME821269
187489
-
1310
-
2'-deoxyguanosine
Deoxyguanosine
ME821145
187790
C00330
1700
-
7-ketodeoxycholate
7-Ketodeoxycholic acid
ME821220
188292
-
4821
-
1-pentadecanoylglycerol (15:0)
MG 15:0
ME821129
190750
-
6200
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME821157
193484
-
6384
-
cholate
Cholic acid
ME821252
221493
C00695
5165
-
deoxycholate
Deoxycholic acid
ME821264
222528
C04483
5294
-
tyrosylglycine
Tyr-Gly
ME821434
259323
-
1635
-
N-acetylisoleucine
N-Acetylisoleucine
ME821348
306109
-
2325
-
isoleucylglycine
Ile-Gly
ME821333
342532
-
1992
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME821421
387316
C05465
5250
-
cytidine 2',3'-cyclic monophosphate
2',3' cyclic CMP
ME821258
417654
C02354
937
-
ethyl alpha-glucopyranoside
-
ME821286
428040
-
1576
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME821407
439155
C00021
1832.4
-
carnosine
Carnosine
ME821247
439224
C00386
804
-
stachyose
Stachyose
ME821413
439531
C01613
920
-
uridine-2',3'-cyclic monophosphate
2',3' cyclic UMP
ME821443
439715
C02355
1090
-
N-formylmethionine
N-Formylmethionine
ME821362
439750
C03145
1543.8
-
1-kestose
1-Kestose
ME821109
440080
C03661
1054
-
dehydroascorbate
L-Dehydroascorbic acid
ME821262
440667
C05422
739.6
-
(3'-5')-adenylylguanosine*
ApG
ME821087
444337
-
1980
-
3'-dephosphocoenzyme A
3'-Dephospho-CoA
ME821175
444485
C00882
2013
-
guanosine 2'-monophosphate (2'-GMP)*
-
ME821312
444571
-
1150
-
arachidonate (20:4n6)
Arachidonic acid
ME821234
444899
C00219
5535
-
biopterin
Biopterin
ME821240
445040
C06313
1398
-
5-methyluridine (ribothymidine)
Ribothymidine
ME821213
445408
-
1778.1
-
docosahexaenoate (DHA; 22:6n3)
LPC 22:6
ME821271
445580
C06429
5525
-
palmitoleate (16:1n7)
Palmitoleic acid
ME821386
445638
C08362
5475
-
ferulate
trans-Ferulic acid
ME821289
445858
C01494
1755
-
eicosapentaenoate (EPA; 20:5n3)
Eicosapentaenoic acid
ME821277
446284
C06428
5450
-
indoleacetylglycine
N-Indoleacetylglycine
ME821329
446640
-
2610
-
prostaglandin D2
PGD2
ME821397
448457
C00696
4650
-
N-acetylmethionine
N-Acetylmethionine
ME821350
448580
C02712
1787
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME821378
514186
-
990
-
isovalerylglycine
Isovalerylglycine
ME821335
546304
-
1950
-
flavin adenine dinucleotide (FAD)
FAD
ME821293
643975
C00016
2425
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME821355
700653
C03137
2630
-
cinnamoylglycine
Cinnamoylglycine
ME821254
709625
-
3127
-
N-formylphenylalanine
N-Formylphenylalanine
ME821363
759256
-
2360
-
taurodeoxycholate
Taurodeoxycholic acid
ME821426
2733768
C05463
5257.4
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME821218
3014237
-
965
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME821188
3017884
-
1282
-
2-oxindole-3-acetate
2-Oxindole-3-acetate
ME821167
3080590
-
2076
-
12-ketolithocholate
12-Ketolithocholic acid
ME821140
3080612
-
5130
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME821219
3081085
C17337
5288.1
-
vanillic acid glycine
-
ME821448
3083688
-
1682
-
alpha-muricholate
alpha-Muricholic acid
ME821231
3083761
C17647
4765
-
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME821083
3083779
-
5993
-
catechol sulfate
Catechol sulfate
ME821249
3083879
-
1906
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME821125
3300276
-
5570
-
S-methylglutathione
S-Methylglutathione
ME821408
3605667
C11347
1075
-
threonylphenylalanine
Thr-Phe
ME821430
4099799
-
2322
-
18-methylnonadecanoate (i20:0)
Isoarachidic acid
ME821143
4383090
-
6170
-
p-cresol sulfate
p-Cresol sulfate
ME821384
4615423
-
2890
-
2-hydroxyarachidate*
2-Hydroxyeicosanoic acid
ME821156
5225199
-
5990
-
prostaglandin E2
PGE2
ME821398
5280360
C00584
4573
-
prostaglandin F2alpha
PGF2alpha
ME821399
5280363
C00639
4658
-
linoleate (18:2n6)
Linoleic acid
ME821338
5280450
C01595
5535
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME821267
5280581
C03242
5596
-
6-keto prostaglandin F1alpha
6-Keto-PGF1alpha
ME821216
5280888
C05961
4190
-
linolenate [alpha or gamma; (18:3n3 or 6)]
gamma-Linolenic acid
ME821339
5280934
C06426
5450
-
genistein
Genistein
ME821302
5280961
C06563
3754
-
erucate (22:1n9)
cis-Erucic acid
ME821285
5281116
C08316
6355.6
-
myristoleate (14:1n5)
Myristoleic acid
ME821347
5281119
C08322
5346.9
-
nervonate (24:1n9)*
Nervonic acid
ME821374
5281120
C08323
6804
-
daidzein
Daidzein
ME821259
5281708
C10208
3566
-
2-arachidonoylglycerol (20:4)
MG 20:4
ME821151
5282280
C13856
6170
-
1-arachidonylglycerol (20:4)
MG 20:4
ME821099
5282281
C13857
6250
-
eicosenoate (20:1)
cis-Gondoic acid
ME821278
5282768
C16526
5950
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME821270
5282807
C16533
6034
-
3-hydroxystearate
3-Hydroxystearic acid
ME821189
5282907
-
5674
-
12-HHTrE
12S-HHTrE
ME821139
5283141
C20388
5175
-
linoleoyl ethanolamide
Linoleoyl-EA
ME821340
5283446
-
6150
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME821122
5283468
-
6650
-
1-linoleoylglycerol (18:2)
MG 18:2
ME821115
5283469
-
6477
-
6-beta-hydroxylithocholate
Murideoxycholic acid
ME821215
5283821
C15515
4830
-
beta-muricholate
beta-Muricholic acid
ME821239
5283853
C17726
4794
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME821210
5312378
-
5224
-
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME821429
5312409
-
5292
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME821134
5312435
-
5555
-
stearidonate (18:4n3)
Stearidonic acid
ME821415
5312508
C16300
5395
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME821136
5312513
-
5780
-
2-hydroxynervonate*
Hydroxynervonic acid
ME821159
5312783
-
6345
-
chlorogenate
Chlorogenic acid
ME821251
5315832
-
1732
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME821166
5319879
-
6500
-
2-linoleoylglycerol (18:2)
MG 18:2
ME821163
5365676
-
6250
-
adrenate (22:4n6)
Adrenic acid
ME821230
5497181
C16527
5678
-
4-hydroxycinnamate sulfate
4-Hydroxycinnamate sulfate
ME821199
6070438
-
1000
-
ferulic acid 4-sulfate
Ferulic acid 4-sulfate
ME821290
6305574
-
1200
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME821124
6419701
C04036
5600
-
N-linoleoylglycine
-
ME821364
6433346
-
5510
-
N-oleoyltaurine
NATaurine 18:1(9Z)
ME821367
6437033
-
5610
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME821266
6439848
C16525
5730
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME821272
6441454
C16513
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME821273
6441454
C16513
5624.5
-
1-oleoyl-GPS (18:1)
LPS 18:1/0:0
ME821121
9547099
-
5607
-
1-palmitoyl-GPS (16:0)*
LPS 16:0/0:0
ME821127
9547100
-
5572
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME821133
9547101
-
5800
-
10-hydroxystearate
Rosilic acid
ME821135
9561835
-
5370
-
S-(1,2-dicarboxyethyl)glutathione
-
ME821406
9802383
-
543
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME821428
9848818
-
5025
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME821361
9920500
-
858
-
9,10-DiHOME
9,10-DiHOME
ME821222
9966640
C14828
5180
-
12,13-DiHOME
12,13-DiHOME
ME821137
10236635
C14829
5137
-
enterolactone
Enterolactone
ME821280
10685477
-
4515
-
isobutyrylglycine
Isobutyrylglycine
ME821332
10855600
-
1420
-
(3'-5')-adenylylcytidine
ApC
ME821086
10875494
-
1920
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME821243
10981970
-
1777
-
daidzein 7-O-glucuronide
Daidzein 7-O-glucuronide
ME821260
11316354
-
2580
-
2-eicosapentaenoylglycerol (20:5)*
MG 0:0/20:5/0:0
ME821153
11660820
-
5943
-
25-hydroxycholesterol sulfate
-
ME821173
11705729
-
5409
-
nisinate (24:6n3)
THA
ME821376
11792612
-
5657
-
CoA-glutathione*
Glutathionyl-CoA
ME821256
11953788
C00920
1326
-
hexadecadienoate (16:2n6)
Hexadecadienoic acid
ME821317
13932172
-
5398
-
2-palmitoyl-GPC (16:0)*
LPC 0:0/16:0
ME821170
15061532
-
6215
-
1-linolenoylglycerol (18:3)
MG 18:3
ME821110
53480978
-
6214
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME821238
72715786
C20775
530
-
catechol glucuronide
-
ME821248
75124209
-
1742
-
1,2,3-benzenetriol sulfate (2)
-
ME821096
-
-
1709
-
13-HODE + 9-HODE
HODE
ME821141
-
-
5275
-
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME821082
-
-
5695
-
1-arachidonoyl-GPI (20:4)*
LPI 20:4/0:0
ME821098
-
-
5482
-
1-carboxyethylisoleucine
1-Carboxyethylisoleucine
ME821100
-
-
2628
-
1-carboxyethylleucine
1-Carboxyethylleucine
ME821101
-
-
2663
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME821102
-
-
2844
-
1-carboxyethyltyrosine
1-Carboxyethyltyrosine
ME821103
-
-
1846
-
1-carboxyethylvaline
1-Carboxyethylvaline
ME821104
-
-
2008
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME821105
-
-
6400
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME821106
-
-
6150
-
1-eicosapentaenoylglycerol (20:5)*
MG 20:5
ME821107
-
-
6088
-
1-heptadecenoylglycerol (17:1)*
MG 17:1/0:0/0:0
ME821108
-
-
6390
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME821111
-
-
5483
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME821112
-
-
5516
-
1-linoleoyl-GPI (18:2)*
LPI 18:2/0:0
ME821113
-
-
5494
-
1-linoleoyl-GPS (18:2)*
LPS 18:2
ME821114
-
-
5500
-
1-meadoylglycerol (20:3n9)*
MG 20:3/0:0/0:0
ME821117
-
-
6450
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME821119
-
-
5610
-
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME821120
-
-
5599
-
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME821123
-
-
6094
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME821126
-
-
5564
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME821131
-
-
5816
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME821132
-
-
5794
-
2-docosahexaenoylglycerol (22:6)*
MG 22:6
ME821152
-
-
6050
-
2-heptadecenoylglycerol (17:1)*
MG 0:0/17:1/0:0
ME821154
-
-
6284
-
2-methylcitrate/homocitrate
Homocitric acid
ME821164
-
-
575
-
(2 or 3)-decenoate (10:1n7 or n8)
Decenoic acid
ME821084
-
-
4990
-
2-palmitoleoylglycerol (16:1)*
MG 16:1
ME821169
-
-
6016
-
2-palmitoleoyl-GPC (16:1)*
LPC 0:0/16:1
ME821168
-
-
5720
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME821172
-
-
6350
-
(3'-5')-cytidylyluridine*
CpU
ME821089
-
-
1522
-
(3'-5')-GppC*
-
ME821090
-
-
1075
-
(3'-5')-guanylyluridine
GpU
ME821092
-
-
1772
-
(3'-5')-uridylylcytidine*
UpC
ME821093
-
-
1591
-
3'-dephospho-CoA-glutathione*
-
ME821174
-
-
1690
-
3-hydroxy-2-methylpyridine sulfate
-
ME821182
-
-
1849
-
3-hydroxyoleate*
-
ME821186
-
-
5508
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME821187
-
-
1595.5
-
4-acetylcatechol sulfate (1)
-
ME821196
-
-
1774
-
4-hydroxy-nonenal-glutathione
-
ME821197
-
-
3319.2
-
4-hydroxyphenylacetate sulfate
-
ME821202
-
-
867
-
4-methylcatechol sulfate
-
ME821205
-
-
2665
-
4-methylhexanoylglycine
-
ME821206
-
-
3550
-
aconitate [cis or trans]
cis-Aconitic acid
ME821223
-
-
580
-
ampicillin
Ampicillin
ME821232
-
-
3322
-
chenodeoxycholic acid sulfate (1)
Chenodeoxycholic acid sulfate
ME821250
-
-
4531
-
cholate sulfate
-
ME821253
-
-
4557
-
daidzein sulfate (2)
-
ME821261
-
-
3330
-
digalactosylglycerol*
Galactosylglycerol
ME821265
-
-
781
-
docosatrienoate (22:3n6)*
Docosatrienoic acid
ME821274
-
-
5850
-
dodecadienoate (12:2)*
Dodecadienoic acid
ME821275
-
-
5146
-
dodecenedioate (C12:1-DC)*
Traumatic acid
ME821276
-
-
2700
-
enterolactone sulfate
-
ME821281
-
-
3746
-
equol glucuronide
-
ME821283
-
-
3215
-
equol sulfate
-
ME821284
-
-
3630
-
ferulylglycine (1)
-
ME821291
-
-
2239
-
ferulylglycine (2)
-
ME821292
-
-
2172
-
Flavone derivative C26H28O14 (1)*
-
ME821295
-
-
2186
-
Flavone derivative C26H28O14 (2)*
-
ME821296
-
-
2234
-
Flavone derivative C26H28O14 (3)*
-
ME821297
-
-
2289
-
Flavone derivative C26H28O14 (4)*
-
ME821298
-
-
2397
-
Flavone derivative C26H28O14 (5)*
-
ME821299
-
-
2457
-
fructose 1,6-diphosphate/glucose 1,6-diphosphate/m...
Fructose 1,6-bisphosphate
ME821301
-
-
551
-
genistein glucuronide*
-
ME821303
-
-
2895
-
genistein sulfate*
-
ME821304
-
-
3616
-
glycitein glucuronide (2)*
-
ME821307
-
-
2733
-
glycitein sulfate (2)
-
ME821308
-
-
3400
-
glyco-beta-muricholate**
Glyco-beta-muricholic acid
ME821309
-
-
4762
-
guanosine 5'-diphospho-fucose
-
ME821314
-
-
755
-
hexadecenedioate (C16:1-DC)*
-
ME821319
-
-
4380
-
maltol sulfate
-
ME821343
-
-
1503
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME821345
-
-
2873
-
N-acetylpyrraline
Dehydroepiandrosterone
ME821352
-
-
2545
-
N-arachidonoyltaurine
NATaurine 20:4(5Z,8Z,11Z,14Z)
ME821358
-
-
5481
-
N-butyryl-leucine
-
ME821359
-
-
3470
-
N-butyryl-phenylalanine
-
ME821360
-
-
3645
-
N-linoleoyltaurine*
NATaurine 18:2(9Z,12Z)
ME821365
-
-
5505
-
N-oleoylserine
NASer 18:1(9Z)
ME821366
-
-
5600
-
N-palmitoyltaurine
NATaurine 16:0
ME821369
-
-
5560
-
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME821379
-
-
4676
-
octadecenedioate (C18:1-DC)
-
ME821380
-
-
4875
-
oleate/vaccenate (18:1)
Oleic acid
ME821381
-
-
5655
-
soyasaponin III
Soyasaponin III
ME821412
-
-
5176
-
taurochenodeoxycholic acid (7 or 27)-sulfate
-
ME821422
-
-
4928
-
taurocholenate sulfate*
Taurocholenate sulfate
ME821424
-
-
4750
-
uridine 2'-monophosphate (2'-UMP)*
UDP-N-acetylglucosamine
ME821439
-
-
824
-
ursocholate
Ursocholic acid
ME821444
-
-
4648
-
vanillin sulfate
-
ME821449
-
-
2242
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME821470
48
-
1916
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME821465
49
C00141
911
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME821471
51
C00026
2700
-
2-isopropylmalate
2-Isopropylmalic acid
ME821456
77
C02504
2605
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME821464
87
C06001
1619
-
acetylphosphate
Acetylphosphate
ME821467
186
C00227
4013.9
-
allantoin
Allantoin
ME821468
204
C02350
1672
-
salicylate
Salicylic acid
ME821534
338
C00805
802
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME821463
441
C01089
1480
-
methylmalonate (MMA)
Methylmalonic acid
ME821512
487
C02170
3078.4
-
lactate
Lactic acid
ME821505
612
C00186
1469
-
dihydroorotate
4,5-Dihydroorotic acid
ME821484
648
C00337
1910
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME821452
677
C04039
1050
-
glutarate (C5-DC)
Glutaric acid
ME821500
743
C00489
2900
-
glycerate
Glyceric acid
ME821501
752
C00258
2070.4
-
myo-inositol
Myo-inositol
ME821515
892
C00137
3506.3
-
orotate
Orotic acid
ME821524
967
C00295
1638.1
-
pyruvate
Pyruvic acid
ME821527
1060
C00022
2650
-
succinate
Succinic acid
ME821536
1110
C00042
3149
-
uracil
Uracil
ME821544
1174
C00106
1089.7
-
ribose
Ribose
ME821531
5779
C00121
1508.2
-
mannitol/sorbitol
Sorbitol
ME821508
5780
C00794
2320
-
glucose
Glucose
ME821497
5793
C00031
2342
-
glucose 6-phosphate
Glucose 6-phosphate
ME821498
5958
C00668
4537
-
fructose
Fructose
ME821488
5984
C00095
2065
-
sucrose
Sucrose
ME821537
5988
C00089
3092
-
quinate
Quinic acid
ME821528
6508
C00296
2432.9
-
ribitol
Ribitol
ME821529
6912
C00474
1789.6
-
UDP-glucose
UDP-glucose
ME821542
8629
C00029
3950
-
methylsuccinate
Methylsuccinic acid
ME821513
10349
-
2800
-
gluconate
Gluconic acid
ME821495
10690
C00257
2922
-
ethylmalonate
Ethylmalonic acid
ME821487
11756
-
2785
-
galactitol (dulcitol)
Galactitol
ME821490
11850
C01697
2360
-
homoserine
Homoserine
ME821503
12647
C00263
2875.8
-
cytidine 5'-diphosphocholine
CDP-choline
ME821481
13804
C00307
4200
-
tricarballylate
1,2,3-Propanetricarboxylic acid
ME821540
14925
C19806
4200
-
UDP-galactose
UDP-galactose
ME821541
18068
C00052
4000
-
mannose
Mannose
ME821510
18950
C00159
2200
-
arabinose
Arabinose
ME821472
66308
C00216
1804.5
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME821476
69362
-
1149.8
-
3-sulfo-L-alanine
Cysteic acid
ME821466
72886
C00506
2890
-
N-acetylalanine
N-Acetylalanine
ME821517
88064
C02847
1564.8
-
orotidine
Orotidine
ME821525
92751
-
2250
-
N6-acetyllysine
N6-Acetyllysine
ME821523
92832
C02727
2612.6
-
N2-acetyllysine
N(2)-Acetyllysine
ME821522
92907
C12989
3372.6
-
2-O-methylascorbic acid
2-O-Methylascorbic acid
ME821457
99779
-
1512
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME821469
99823
-
1052
-
N-formylanthranilic acid
Formylanthranilic acid
ME821520
101399
C05653
900
-
cysteine s-sulfate
Cysteine-S-sulfate
ME821480
115015
C05824
2273
-
cytidine-5'-diphosphoethanolamine
CDP-Ethanolamine
ME821483
123727
C00570
4210
-
N-glycolylneuraminate
-
ME821521
123802
C03410
3327.5
-
galactose 1-phosphate
Galactose 1-phosphate
ME821492
123912
C00446
4552
-
galactonate
Galactonic acid
ME821491
128869
C00880
3085
-
xylose
Xylose
ME821545
135191
C00181
1727
-
threonate
Threonic acid
ME821538
151152
C01620
2384
-
3-hydroxyadipate*
3-Hydroxy-adipic acid
ME821461
151913
-
3131
-
gulonate*
Gulonic acid
ME821502
152304
C00257
2750
-
2,4-dihydroxybutyrate
2,4-Dihydroxybutanoic acid
ME821453
192742
-
1793
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME821454
193530
C02360
3000
-
erythritol
Erythritol
ME821485
222285
C00503
1491
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME821519
439197
C00270
3072.6
-
mannose-6-phosphate
Mannose 6-phosphate
ME821511
439198
C00275
4510
-
glucosamine-6-phosphate
Glucosamine 6-phosphate
ME821496
439217
C00352
4521.5
-
N-acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME821518
439219
C00357
4114
-
mevalonate
Mevalonic acid
ME821514
439230
C02104
1462
-
inositol 1-phosphate (I1P)
Inositol 3-phosphate
ME821504
440194
C01177
4785
-
N-acetyl-glucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME821516
440364
C04256
4052
-
maleate
Maleic acid
ME821506
444266
C01384
2640
-
glucuronate
Glucuronic acid
ME821499
444791
C00191
3233.3
-
fumarate
Fumaric acid
ME821489
444972
C00122
3084
-
cytidine 5'-monophospho-N-acetylneuraminic acid
CMP-N-acetylneuraminic acid
ME821482
448209
C00128
3900
-
erythronate*
Erythronic acid
ME821486
2781043
-
2186
-
galactose 6-phosphate
Galactose 6-phosphate
ME821493
3034794
-
4725
-
mannonate*
Mannonic acid
ME821509
3246006
-
2736
-
3-hydroxyarachidate*
3-Hydroxyeicosanoic acid
ME821462
5282918
-
725
-
sedoheptulose
Glucoheptulose
ME821535
5459879
-
2255
-
ribonate
Ribonic acid
ME821530
5460677
C01685
2425
-
trans-4-hydroxycrotonic acid
-
ME821539
6155526
-
1795
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME821459
10964471
-
1660
-
maltose
Maltose
ME821507
10991489
C00208
3329.4
-
ascorbic acid 3-sulfate*
-
ME821475
11425365
-
2025
-
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME821458
13120901
-
1543
-
galactosylglycerol
Galactosylglycerol
ME821494
16048618
C05401
2518
-
1-stearoyl-2-oleoyl-GPG (18:0/18:1)
PG 18:0/18:1
ME821451
-
-
717
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME821455
-
-
1258
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME821460
-
-
2204
-
arabitol/xylitol
Arabitol
ME821473
-
-
1932.4
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME821474
-
-
2700
-
caffeic acid sulfate
-
ME821477
-
-
1307
-
chiro-inositol
1D-chiro-Inositol
ME821478
-
C19891
3191.2
-
citraconate/glutaconate
Citraconic acid/Glutaconic acid
ME821479
-
-
2600
-
pentose acid*
Valeric acid
ME821526
-
-
2180
-
ribulonate/xylulonate/lyxonate*
-
ME821532
-
-
2350
-
ribulose/xylulose
Xylulose
ME821533
-
-
1400
-
UDP-N-acetylglucosamine/galactosamine
UDP-N-acetylhexosamine
ME821543
-
-
3665
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel