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 ST003131 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
phosphate
Phosphoric acid
ME820008
1061
C00009
576
-
adenosine 5'-monophosphate (AMP)
AMP
ME819840
6083
C00020
1013
-
glutamate
Glutamic acid
ME819902
611
C00025
1500
-
glycine
Glycine
ME819912
750
C00037
1375
-
alanine
Alanine
ME819843
5950
C00041
1700
-
lysine
Lysine
ME819937
5962
C00047
2850
-
aspartate
Aspartic acid
ME819851
5960
C00049
1165
-
cytidine 5'-monophosphate (5'-CMP)
CMP
ME819873
6131
C00055
835
-
arginine
Arginine
ME819848
232
C00062
2825
-
glutamine
Glutamine
ME819904
5961
C00064
1291
-
serine
Serine
ME820029
5951
C00065
1239
-
methionine
Methionine
ME819940
6137
C00073
2526
-
ornithine
Ornithine
ME820001
6262
C00077
2800
-
tryptophan
Tryptophan
ME820048
6305
C00078
2986
-
phenylalanine
Phenylalanine
ME820005
6140
C00079
2878
-
tyrosine
Tyrosine
ME820051
6057
C00082
2430
-
urea
Urea
ME820053
1176
C00086
700
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME819906
754
C00093
580
-
cysteine
Cysteine
ME819867
5862
C00097
1475
-
beta-alanine
beta-Alanine
ME819852
239
C00099
1905
-
uridine 5'-monophosphate (UMP)
UMP
ME820054
6030
C00105
590
-
uracil
Uracil
ME820052
1174
C00106
827
-
anthranilate
2-Aminobenzoic acid
ME819846
227
C00108
2606
-
choline
Choline
ME819861
305
C00114
1961
-
biotin
Biotin
ME819855
171548
C00120
2253
-
putrescine
Putrescine
ME820018
1045
C00134
3027
-
adenine
Adenine
ME819838
190
C00147
2221
-
proline
Proline
ME820014
145742
C00148
1603
-
asparagine
Asparagine
ME819850
6267
C00152
1225
-
nicotinamide
Niacinamide
ME819995
936
C00153
1942
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME819834
439176
C00170
2752
-
agmatine
Agmatine
ME819842
199
C00179
3057
-
threonine
Threonine
ME820039
6288
C00188
1514
-
adenosine
Adenosine
ME819839
60961
C00212
2169
-
sarcosine
Sarcosine
ME820027
1088
C00213
1280
-
2'-deoxycytidine 5'-monophosphate
dCMP
ME819810
13945
C00239
975
-
guanine
Guanine
ME819917
764
C00242
2032
-
taurine
Taurine
ME820035
1123
C00245
660
-
pyridoxal
Pyridoxal
ME820019
1050
C00250
2343
-
nicotinate
Nicotinic acid
ME819998
938
C00253
1673
-
riboflavin (Vitamin B2)
Riboflavin
ME820024
493570
C00255
2292
-
hypoxanthine
Hypoxanthine
ME819926
790
C00262
1295
-
dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME819879
1879
C00268
1930
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME819965
439197
C00270
660
-
inosine
Inosine
ME819930
6021
C00294
1269
-
creatine
Creatine
ME819864
586
C00300
1947
-
pyridoxine (Vitamin B6)
Pyridoxine
ME820021
1054
C00314
2442
-
spermidine
Spermidine
ME820031
1102
C00315
3355
-
carnitine
Carnitine
ME819859
10917
C00318
1978
-
citrulline
Citrulline
ME819863
9750
C00327
1520
-
kynurenine
Kynurenine
ME819933
161166
C00328
2739
-
2'-deoxyadenosine 5'-monophosphate
dAMP
ME819808
12599
C00360
1284
-
2'-deoxyguanosine 5'-monophosphate (dGMP)
dGMP
ME819811
65059
C00362
950
-
thiamin (Vitamin B1)
Thiamine
ME820036
1130
C00378
3050
-
cytosine
Cytosine
ME819874
597
C00380
2060
-
xanthine
Xanthine
ME820058
1188
C00385
1032
-
histamine
Histamine
ME819919
774
C00388
3035
-
tryptamine
Tryptamine
ME820047
1150
C00398
3062
-
isoleucine
Isoleucine
ME819931
6306
C00407
2800
-
pipecolate
Pipecolic acid
ME820011
849
C00408
2200
-
5-aminovalerate
5-Aminopentanoic acid
ME819829
138
C00431
2220
-
N-carbamoylputrescine
N-Carbamoylputrescine
ME819971
502
C00436
2015
-
N-alpha-acetylornithine
N-Acetylornithine
ME819969
439232
C00437
2000
-
formiminoglutamate
Formiminoglutamic acid
ME819885
439233
C00439
1880
-
cytidine
Cytidine
ME819871
6175
C00475
2124
-
tyramine
Tyramine
ME820050
5610
C00483
2540
-
cystine
Cystine
ME819870
67678
C00491
2000
-
3-sulfo-L-alanine
Cysteic acid
ME819822
72886
C00506
570
-
hypotaurine
Hypotaurine
ME819925
107812
C00519
724
-
pyridoxamine
Pyridoxamine
ME820020
1052
C00534
2975
-
2'-deoxyadenosine
Deoxyadenosine
ME819806
13730
C00559
2252
-
guanidinoacetate
Guanidoacetic acid
ME819916
763
C00581
1937
-
choline phosphate
Choline phosphate
ME819862
1014
C00588
700
-
cysteine sulfinic acid
3-Sulfino-alanine
ME819868
109
C00606
597
-
N-acetylglutamate
N-Acetylglutamic acid
ME819960
70914
C00624
1050
-
diaminopimelate
2,6-Diaminopimelic acid
ME819878
439283
C00666
2569
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME819910
71920
C00670
672
-
pterin
Pterin
ME820017
73000
C00715
1805
-
betaine
Betaine
ME819854
247
C00719
1064
-
spermine
Spermine
ME820032
1103
C00750
3350
-
serotonin
Serotonin
ME820030
5202
C00780
2550
-
trans-urocanate
Urocanic acid
ME820042
736715
C00785
2285
-
creatinine
Creatinine
ME819865
588
C00791
2055
-
pantetheine
Pantetheine
ME820002
439322
C00831
2056
-
pantothenate
Pantothenic acid
ME820003
6613
C00864
1667
-
2'-deoxycytidine
Deoxycytidine
ME819809
13711
C00881
2193
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME820044
5570
C01004
1388
-
dimethylglycine
Dimethylglycine
ME819881
673
C01026
1104
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME819826
500
C01035
2320
-
thiamin monophosphate
Thiamine monophosphate
ME820037
3382778
C01081
2378
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME820045
1145
C01104
2100
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME820041
5810
C01157
1064
-
deoxycarnitine
3-Dehydroxycarnitine
ME819875
134
C01181
2052
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME819907
123874
C01233
659
-
anserine
Anserine
ME819845
112072
C01262
2924
-
hydroxymethylpyrimidine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME819924
777
C01279
2207
-
cysteinylglycine
Cys-Gly
ME819869
439498
C01419
2132
-
diacetylchitobiose
N,N'-Diacetylchitobiose
ME819876
439544
C01674
790
-
piperidine
Piperidine
ME820012
8082
C01746
2500
-
acetylcholine
Acetylcholine
ME819837
-
C01996
2220
-
glycylleucine
Gly-Leu
ME819914
92843
C02155
3059
-
1-methyladenine
1-Methyladenine
ME819801
78821
C02216
2133
-
7-methylguanine
7-Methylguanine
ME819835
11361
C02242
2175
-
cystathionine
Cystathionine
ME819866
439258
C02291
2270
-
homocitrulline
Homocitrulline
ME819922
65072
C02427
1908
-
xanthurenate
Xanthurenic acid
ME820059
5699
C02470
2236
-
N1-methyladenosine
1-Methyladenosine
ME819983
27476
C02494
2120
-
N-acetylarginine
N-Acetylarginine
ME819954
67427
C02562
2245
-
acetylcarnitine (C2)
CAR 2:0
ME819836
1
C02571
2282
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME819815
43
C02630
958
-
3-ureidopropionate
Ureidopropionic acid
ME819824
111
C02642
875
-
N-acetylputrescine
N-Acetylputrescine
ME819967
122356
C02714
2230
-
N-acetylglutamine
N-Acetylglutamine
ME819961
182230
C02716
845
-
N-methylalanine
N-Methylalanine
ME819975
5288725
C02721
1580
-
N6-methyllysine
N(6)-Methyllysine
ME819993
164795
C02728
2831
-
4-imidazoleacetate
Imidazoleacetic acid
ME819827
96215
C02835
2055
-
butyrylcarnitine (C4)
CAR 4:0
ME819856
439829
C02862
2860
-
1-methylnicotinamide
1-Methyl nicotinamide
ME819804
457
C02918
1940
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME819825
18189
C02946
1350
-
methionine sulfoxide
Methionine sulfoxide
ME819942
158980
C02989
1272
-
N-acetylhistidine
N-Acetylhistidine
ME819963
75619
C02997
2065
-
propionylcarnitine (C3)
CAR 3:0
ME820016
107738
C03017
2590
-
beta-guanidinopropanoate
3-Guanidinopropanoic acid
ME819853
67701
C03065
2145
-
nicotinamide riboside
Nicotinamide riboside
ME819997
439924
C03150
2040
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME819908
439964
C03274
520
-
argininosuccinate
Argininosuccinic acid
ME819849
16950
C03406
2745
-
N-glycolylneuraminate
-
ME819973
123802
C03410
636
-
N1,N12-diacetylspermine
N1,N12-Diacetylspermine
ME819980
132680
C03413
3105
-
5-methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME819832
440055
C03592
2303
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME819880
123831
C03626
2850
-
quinolinate
Quinolinic acid
ME820023
1066
C03722
845
-
2-oxoarginine*
2-Oxoarginine
ME819817
558
C03771
1760
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME819988
440120
C03793
2825
-
N-monomethylarginine
Targinine
ME819978
132862
C03884
2845
-
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME819828
1136
C04294
2310
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME820025
1196
C04322
1528
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME819959
123826
C04540
1212
-
3-ureidoisobutyrate
Ureidoisobutyric acid
ME819823
160663
C05100
1207
-
1-methylhistamine
1-Methylhistamine
ME819802
3614
C05127
3040
-
1-ribosyl-imidazoleacetate*
Imidazoleacetic acid riboside
ME819805
5117448
C05131
2006
-
N-acetylhistamine
N-Acetylhistamine
ME819962
69602
C05135
2287
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME819820
64956
C05145
2190
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME819891
92865
C05282
1775
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME819892
150914
C05283
1430
-
nicotianamine
(R,S,S)-Nicotianamine
ME819994
9882882
C05324
1800
-
phenethylamine
Phenylethylamine
ME820004
1001
C05332
3065
-
sedoheptulose-7-phosphate
Sedoheptulose 7-phosphate
ME820028
616
C05382
540
-
imidazole lactate
Imidazolelactic acid
ME819927
793
C05568
2040
-
ergothioneine
Ergothioneine
ME819883
3032311
C05570
850
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME819830
1826
C05635
1893
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME819799
75810
C05828
2064
-
nicotinate ribonucleoside
D-Ribosylnicotinate
ME819999
161234
C05841
1536
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME819981
69698
C05842
1250
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME819982
440810
C05843
1260
-
triethanolamine
Triethanolamine
ME820043
7618
C06771
1963
-
N-acetylcysteine
N-Acetylcysteine
ME819957
12035
C06809
1416
-
trizma acetate
2-Amino-2-methylol-propane-1,3-diol
ME820046
6503
C07182
1884
-
homostachydrine*
(S)-Homostachydrine
ME819923
441447
C08283
1750
-
picolinate
Picolinic acid
ME820009
1018
C10164
910
-
stachydrine
Stachydrine
ME820033
115244
C10172
1440
-
feruloylputrescine
Subaphylline
ME819884
5281796
C10497
2862
-
indolin-2-one
Indolin-2-one
ME819929
321710
C12312
2575
-
N-acetylcitrulline
N-Acetylcitrulline
ME819956
656979
C15532
1010
-
N-methyl-GABA
4-(Methylamino)butyric acid
ME819974
70703
C15987
2109
-
5-hydroxylysine
5-Hydroxylysine
ME819831
1029
C16741
2790
-
2-dimethylaminoethanol
Dimethylethanolamine
ME819814
-
D07777
1983
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME819800
6451814
-
1989
-
1-methylhypoxanthine
1-Methylhypoxanthine
ME819803
70765
-
1530
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME819813
227939
-
3160
-
2'-deoxyadenosine 3'-monophosphate
-
ME819807
1467
-
1240
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME819816
6426901
-
3050
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME819812
150971
-
2411
-
2-piperidinone
2-Piperidinone
ME819818
12665
-
1675
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME819819
5200225
-
2065
-
3-methylcytidine
3-Methylcytidine
ME819821
159649
-
2176
-
5-methylcytidine
5-Methylcytidine
ME819833
92918
-
2227
-
adipoylcarnitine (C6-DC)
CAR DC6:0
ME819841
71296139
-
2570
-
alanylleucine
Ala-Leu
ME819844
259583
-
3055
-
argininate*
Argininic acid
ME819847
160437
-
2150
-
butyrylputrescine/isobutyrylputrescine
-
ME819857
-
-
2798
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME819858
2572
-
2085
-
chlormequat
-
ME819860
-
-
2224
-
cytidine 2' or 3'-monophosphate (2' or 3'-CMP)
-
ME819872
-
-
847
-
diacetylspermidine*
-
ME819877
87485212
-
2510
-
dipicolinate
2,6-Pyridinedicarboxylic acid
ME819882
10367
-
1695
-
fructosyllysine
Fructosyllysine
ME819886
123708
-
2784
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME819889
440103
-
1986
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME819887
65254
-
2784
-
gamma-glutamylcitrulline*
-
ME819890
-
-
1644
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME819888
7015685
-
2725
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME819893
165527
-
1535
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME819894
7017195
-
2740
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME819895
7009567
-
2640
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME819896
111299
-
2992
-
gamma-glutamylserine
gamma-Glu-Ser
ME819897
-
-
1351
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME819898
76078708
-
1750
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME819899
3989307
-
2975
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME819900
94340
-
2518
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME819901
7015683
-
2700
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME819903
68662
-
2170
-
glutaminylleucine
Gln-Leu
ME819905
18218208
-
3009
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME819909
167572
-
516
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME819911
3081457
-
577
-
glycylisoleucine
Gly-Ile
ME819913
88079
-
3002
-
glycylvaline
Gly-Val
ME819915
97417
-
2734
-
hexanoylcarnitine (C6)
CAR 6:0
ME819918
6426853
-
3358
-
histidine betaine (hercynine)*
Hercynine
ME819920
3083620
-
2094
-
histidylalanine
His-Ala
ME819921
351667
-
3014
-
imidazole propionate
Imidazole propanoate
ME819928
70630
-
2263
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME819932
6426851
-
3085
-
leucine
Leucine
ME819934
6106
-
2864
-
leucylalanine
Leu-Ala
ME819935
259321
-
2801
-
leucylglutamine*
Leu-Gln
ME819936
4305457
-
2620
-
lysylleucine
Lys-Leu
ME819938
4682588
-
3370
-
malonylcarnitine
CAR DC3:0
ME819939
22833583
-
2086
-
methionine sulfone
Methionine sulfone
ME819941
69961
-
1250
-
methylphosphate
Methanolphosphate
ME819943
13130
-
544
-
mevalonolactone
Mevalonolactone
ME819944
10428
-
1375
-
N1-methylguanosine
1-Methylguanosine
ME819984
96373
-
1980
-
N1-methylinosine
1-Methylinosine
ME819985
65095
-
1430
-
N1,N10-dicoumaroylspermidine
-
ME819979
-
-
3125
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME819797
-
-
3080
-
N2-acetyl,N6-methyllysine
N2-Acetyl,N6-methyllysine
ME819987
-
-
2168
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME819986
92919
-
2210
-
N6-carboxyethyllysine
N(6)-(2-Carboxyethyl)-lysine
ME819989
22283604
-
2695
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME819990
123800
-
2500
-
N6-formyllysine
-
ME819991
70923
-
1992
-
N6-methyladenosine
N6-Methyladenosine
ME819992
102175
-
2264
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME819950
53859791
-
2100
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME819951
193270
-
2056
-
N-acetylasparagine
N-Acetylasparagine
ME819955
99715
-
785
-
N-acetyl-cadaverine
N-Acetylcadaverine
ME819952
189087
-
2385
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME819958
-
-
715
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME819953
131802901
-
2305
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME819964
193368
-
880
-
N-acetylproline
N-Acetyl-proline
ME819966
322640
-
1695
-
N-acetylserine
N-Acetylserine
ME819968
65249
-
800
-
N-carbamoylalanine
N-Carbamoylalanine
ME819970
426409
-
950
-
N-carboxymethylalanine
-
ME819972
2764308
-
905
-
nicotinamide N-oxide
Nicotinamide N-oxide
ME819996
72661
-
877
-
N-methylhydroxyproline**
N-Methyl-4-hydroxyproline
ME819976
9860390
-
1145
-
N-methylproline
N-Methyl-proline
ME819977
557
-
1335
-
N,N-dimethyl-5-aminovalerate
N,N-Dimethyl-5-aminovaleric acid
ME819947
-
-
2290
-
N,N-dimethylalanine
N,N-Dimethylalanine
ME819948
5488191
-
1370
-
N,N-dimethylvaline
-
ME819949
11008044
-
2186
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME819945
14274897
-
2186
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME819946
-
-
2470
-
o-Tyrosine
o-Tyrosine
ME820000
91482
-
2772
-
phenylalanylalanine
Phe-Ala
ME820006
5488196
-
2909
-
phenylalanylglycine
Phe-Gly
ME820007
98207
-
2898
-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME820010
-
-
2773
-
pro-hydroxy-pro
Pro-hydroxyPro
ME820013
11673055
-
2128
-
prolylglycine
Pro-Gly
ME820015
6426709
-
2136
-
pyroglutamine*
Pyroglutamine
ME820022
134508
-
1900
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME819798
-
-
2340
-
S-methylcysteine
Methylcysteine
ME820026
24417
-
1955
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME820034
71464481
-
2291
-
thioproline
Thioproline
ME820038
93176
-
1250
-
threonylphenylalanine
Thr-Phe
ME820040
4099799
-
3077
-
tryptophylglycine
Trp-Gly
ME820049
263471
-
2930
-
valylglutamine
Val-Gln
ME820055
5253209
-
2295
-
valylglycine
Val-Gly
ME820056
136487
-
2444
-
valylleucine
Val-Leu
ME820057
352039
-
3138
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
cholesterol
Cholesterol
ME820142
11025495
C00187
2707
-
sphingosine
Sphingosine
ME820206
5353955
C00319
1393
-
retinol (Vitamin A)
Retinol
ME820201
445354
C00473
1636
-
bilirubin (Z,Z)
Bilirubin
ME820131
5280352
C00486
1840
-
biliverdin
Biliverdin
ME820132
5353439
C00500
1016
-
4-cholesten-3-one
Cholestenone
ME820118
91477
C00599
2520
-
sphinganine
Sphinganine
ME820204
3126
C00836
1413
-
ergosterol
Ergosterol
ME820151
444679
C01694
2420
-
beta-sitosterol
Sitosterol
ME820128
222284
C01753
3054
-
campesterol
Campesterol
ME820133
173183
C01789
2873
-
protoporphyrin IX
Protoporphyrin
ME820200
4971
C02191
1417
-
alpha-tocopherol
alpha-Tocopherol
ME820121
14985
C02477
2522
-
octanoylcarnitine (C8)
CAR 8:0
ME820186
123701
C02838
950
-
3-ketosphinganine
3-Ketosphinganine
ME820117
631
C02934
1400
-
palmitoylcarnitine (C16)
CAR 16:0
ME820196
461
C02990
1425
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME820083
11988421
C04100
1465
-
1-arachidonoyl-GPC (20:4n6)*
LPC 20:4/0:0
ME820078
-
C05208
1460
-
stigmasterol
Stigmasterol
ME820211
5280794
C05442
2875
-
D-urobilin
D-Urobilin
ME820144
6276321
C05795
935
-
solanidine
Solanidine
ME820202
65727
C06543
1010
-
fucosterol
Isofucosterol
ME820153
5281328
C08817
2688
-
afromosin
Afrormosin
ME820120
5281704
C10199
991
-
phytosphingosine
Phytosphingosine
ME820199
122121
C12144
1367
-
alpha-tocopherol acetate
Tocopherol acetate
ME820122
2117
C13202
2702
-
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*
MGDG 18:3/0:0/18:3
ME820061
5282287
C13871
2046
-
hexadecasphinganine (d16:0)*
C16 Sphinganine
ME820158
656816
C13915
1300
-
delta-tocopherol
delta-Tocopherol
ME820147
92094
C14151
2259
-
alpha-tocotrienol
alpha-Tocotrienol
ME820123
5282347
C14153
1986
-
gamma-tocotrienol
gamma-Tocotrienol
ME820155
5282349
C14155
1918
-
glycitein
Glycitein
ME820156
5317750
C14536
700
-
palmitoyl ethanolamide
Palmitoyl-EA
ME820193
4671
C16512
1643
-
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME820069
-
-
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
ME820070
-
-
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
ME820071
-
-
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
ME820072
-
-
2226
-
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
ME820073
-
-
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
ME820074
-
-
2600
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME820075
10917802
-
1547
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME820076
9547058
-
2511
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME820077
-
-
1649
-
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)
-
ME820060
-
-
1941
-
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*
-
ME820062
-
-
2256
-
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*
-
ME820063
6535011
-
2415
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME820064
5288075
-
2006
-
1,2-dilinoleoyl-GPE (18:2/18:2)*
PE 18:2/18:2
ME820065
9546812
-
2083
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME820066
452110
-
2365
-
1,2-dipalmitoyl-GPE (16:0/16:0)*
PE 16:0/16:0
ME820067
445468
-
2498
-
1,2-dipalmitoyl-GPG (16:0/16:0)
PG 16:0/16:0
ME820068
11846227
-
3157
-
1-linolenoyl-GPC (18:3)*
LPC 18:3
ME820079
-
-
1410
-
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:...
DGDG 18:2_18:3
ME820080
-
-
2073
-
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/...
MGDG 18:2_18:3
ME820081
-
-
2209
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*
PC 18:2/18:3
ME820082
-
-
1939
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME820084
52925130
-
1482
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME820085
129657
-
2147
-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*
PC 18:1/18:2
ME820086
-
-
2165
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*
PE 18:1/18:2
ME820087
9546753
-
2270
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME820088
16081932
-
1540
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME820089
9547071
-
1554
-
1-palmitoleoyl-GPC (16:1)*
LPC 16:1/0:0
ME820090
24779461
-
1450
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME820091
10747814
-
2091
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME820092
9546800
-
2198
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME820093
6441886
-
2023
-
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:...
DGDG 16:0_18:3
ME820094
-
-
2278
-
1-palmitoyl-2-linolenoyl-galactosylglycerol (16:0/...
MGDG 16:0_18:3
ME820095
-
-
2455
-
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0...
DGDG 16:0_18:2
ME820096
-
-
2498
-
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/1...
MGDG 16:0_18:2
ME820097
-
-
2731
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME820098
5287971
-
2160
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME820099
9546747
-
2275
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME820100
6436017
-
2358
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME820101
5283496
-
2509
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME820102
-
-
2160
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME820103
-
-
2653
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME820104
86554
-
1525
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME820105
9547069
-
1544
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME820106
16219824
-
2300
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME820107
5289133
-
2424
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME820108
-
-
2380
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME820109
9546749
-
2522
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME820110
-
-
2644
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME820111
-
-
2858
-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)
PS 18:0/18:1
ME820112
9547087
-
3000
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME820113
497299
-
1606
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME820114
9547068
-
1626
-
3-hydroxydecanoylcarnitine
CAR 10:0;3OH
ME820115
-
-
961
-
3-hydroxyoleoylcarnitine
CAR 18:1(9Z);3OH
ME820116
-
-
1406
-
5-dodecenoylcarnitine (C12:1)
CAR 12:1(5)
ME820119
-
-
1135
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME820124
-
-
1353
-
arachidoylcarnitine (C20)*
CAR 20:0
ME820126
-
-
1512
-
arachidoyl ethanolamide (20:0)*
Eicosanoyl-EA
ME820125
3787294
-
1941
-
behenoyl ethanolamide (22:0)*
Behenoyl-EA
ME820127
3023585
-
2164
-
bilirubin (E,E)*
Bilirubin
ME820129
5315454
-
1045
-
bilirubin (E,Z or Z,E)*
Bilirubin
ME820130
5799469
-
1265
-
carotene diol (1)
Carotene diol
ME820134
-
-
1720
-
carotene diol (2)
Carotene diol
ME820135
-
-
1904
-
carotene diol (3)
Carotene diol
ME820136
-
-
1948
-
ceramide (d16:1/24:1, d18:1/22:1)*
Cer 40:2;O2
ME820137
-
-
3850
-
ceramide (d18:1/14:0, d16:1/16:0)*
Cer 36:1;O2
ME820138
-
-
2477
-
ceramide (d18:1/17:0, d17:1/18:0)*
Cer 35:1;O2
ME820139
-
-
3055
-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*
Cer 38:1;O2
ME820140
-
-
3920
-
ceramide (d18:2/24:1, d18:1/24:2)*
Cer 42:3;O2
ME820141
-
-
3858
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME820143
-
-
1057
-
decanoylcarnitine (C10)
CAR 10:0
ME820145
10245190
-
1130
-
dehydrophytosphingosine*
Dehydrophytosphingosine
ME820146
-
-
1302
-
dihomo-linoleoylcarnitine (C20:2)*
CAR 20:2
ME820148
-
-
1436
-
eicosanoylsphingosine (d20:1)*
-
ME820149
-
-
1443
-
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME820150
-
-
1484
-
erucoyl ethanolamide (22:1)*
-
ME820152
6436482
-
1939
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME820154
-
-
2384
-
heptadecasphingosine (d17:1)
C17 Sphingosine
ME820157
5283557
-
1377
-
hexadecasphingosine (d16:1)*
C16 Sphingosine
ME820159
-
-
1289
-
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**
-
ME820160
-
-
2056
-
laurylcarnitine (C12)
CAR 12:0
ME820161
10427569
-
1235
-
lignoceroyl ethanolamide (24:0)*
-
ME820162
-
-
2445
-
linolenoylcarnitine (C18:3)*
CAR 18:3
ME820165
-
-
1310
-
linolenoyl ethanolamide
-
ME820163
5283449
-
1488
-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]*
-
ME820164
-
-
2229
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*
DG 18:2_20:4
ME820166
-
-
2650
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME820171
6450015
-
1430
-
linoleoylcholine*
alpha-Linoleoylcholine
ME820172
-
-
1388
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*
DG 18:2_18:3
ME820167
-
-
2426
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*
DG 18:2_18:3
ME820168
-
-
2478
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME820169
-
-
2720
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*
DG 18:2_18:2
ME820170
-
-
2790
-
margaroylcarnitine (C17)*
CAR 17:0
ME820173
-
-
1424
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME820174
90659872
-
1316
-
myristoylcarnitine (C14)
CAR 14:0
ME820175
6426854
-
1350
-
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...
-
ME820176
-
-
2692
-
N-palmitoyl-phytosphingosine (t18:0/16:0)
Cer 18:0;O3/16:0
ME820177
10506988
-
2632
-
N-palmitoyl-sphingadienine (d18:2/16:0)*
Cer 18:2;O2/16:0
ME820178
-
-
2490
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME820179
5283572
-
3090
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME820180
5283564
-
2893
-
N-stearoyl-phytosphingosine (t18:0/18:0)*
-
ME820181
9898642
-
3020
-
N-stearoyl-sphinganine (d18:0/18:0)*
Cer 18:0;O2/18:0
ME820182
5283573
-
3526
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME820183
5283565
-
3392
-
octadecanedioylcarnitine (C18-DC)*
CAR DC18:0
ME820184
-
-
1227
-
octadecenedioylcarnitine (C18:1-DC)*
CAR DC18:1
ME820185
-
-
1180
-
oleoylcarnitine (C18:1)
CAR 18:1
ME820189
6441392
-
1423
-
oleoylcholine
Oleoylcholine
ME820190
-
-
1449
-
oleoyl ethanolamide
Oleoyl-EA
ME820187
5283454
-
1661
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME820188
-
-
3223
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME820191
71464547
-
1357
-
palmitoylcholine
Palmitoylcholine
ME820197
151731
-
1482
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME820192
9939965
-
2290
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*
DG 16:0_18:2
ME820195
-
-
3197
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME820194
9939941
-
2168
-
pentadecanoylcarnitine (C15)*
CAR 15:0
ME820198
-
-
1362
-
sphingadienine
Sphingadienine
ME820203
6449795
-
1350
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME820205
-
-
3033
-
stearoylcarnitine (C18)
CAR 18:0
ME820208
6426855
-
1485
-
stearoylcholine*
Stearoylcholine
ME820209
-
-
1520
-
stearoyl ethanolamide
Stearoyl-EA
ME820207
27902
-
1787
-
stigmastadienone
Spinasterone
ME820210
6442194
-
2688
-
undecenoylcarnitine (C11:1)
CAR 11:1
ME820212
-
-
1069
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
flavin adenine dinucleotide (FAD)
FAD
ME820420
643975
C00016
2425
-
sulfate*
Sulfate
ME820540
1118
C00059
616
-
flavin mononucleotide (FMN)
FMN
ME820421
710
C00061
2390
-
glycerol
Glycerol
ME820437
753
C00116
758
-
histidine
Histidine
ME820454
6274
C00135
755.9
-
guanosine 5'- monophosphate (5'-GMP)
GMP
ME820445
6804
C00144
653.2
-
malate
Malic acid
ME820481
525
C00149
615.6
-
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME820322
135
C00156
820
-
citrate
Citric acid
ME820380
311
C00158
582
-
phenylpyruvate
Phenylpyruvic acid
ME820528
997
C00166
2515
-
thymine
Thymine
ME820555
1135
C00178
1654
-
benzoate
Benzoic acid
ME820359
243
C00180
1750
-
valine
Valine
ME820567
6287
C00183
909.4
-
oxalate (ethanedioate)
Oxalic acid
ME820517
971
C00209
603
-
thymidine
Thymidine
ME820553
5789
C00214
1963.7
-
arachidonate (20:4n6)
Arachidonic acid
ME820356
444899
C00219
5535
-
3,4-dihydroxybenzoate
Protocatechuic acid
ME820294
72
C00230
729
-
4-methyl-2-oxopentanoate
Ketoleucine
ME820329
70
C00233
2170
-
butyrate/isobutyrate (4:0)
Butyric acid
ME820365
264
C00246
1062
-
palmitate (16:0)
Palmitic acid
ME820519
985
C00249
5618
-
uridine
Uridine
ME820560
6029
C00299
1457.6
-
2'-deoxyguanosine
Deoxyguanosine
ME820272
187790
C00330
1700
-
thymidine 5'-monophosphate
TMP
ME820554
9700
C00364
883
-
urate
Uric acid
ME820559
1175
C00366
757.1
-
guanosine
Guanosine
ME820443
6802
C00387
1662
-
sinapate
Sinapic acid
ME820535
637775
C00482
1973
-
raffinose
Raffinose
ME820532
10542
C00492
978
-
folate
Folic acid
ME820429
6037
C00504
1467
-
naringenin
Naringenin
ME820509
932
C00509
3437
-
2'-deoxyuridine
Deoxyuridine
ME820274
13712
C00526
1586
-
hydroquinone sulfate
Quinol sulfate
ME820455
161220
C00530
1395
-
adenosine 3',5'-cyclic monophosphate (cAMP)
3',5' cyclic AMP
ME820345
6076
C00575
1952.2
-
p-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME820518
126
C00633
2040
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME820326
127
C00642
1361
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME820317
47
C00671
2064.2
-
cholate
Cholic acid
ME820375
221493
C00695
5165
-
valerate (5:0)
Valeric acid
ME820565
7991
C00803
1718
-
4-hydroxycinnamate
cis-p-Coumaric acid
ME820323
637542
C00811
1457
-
pyridoxate
4-Pyridoxic acid
ME820530
6723
C00847
2185
-
indoleacetate
Indoleacetic acid
ME820460
802
C00954
2200
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME820328
979
C01179
1690
-
4-methylthio-2-oxobutanoate
2-Oxo-4-methylthiobutanoic acid
ME820330
473
C01180
1635
-
inositol hexakisphosphate
Inositol hexakisphosphate
ME820465
890
C01204
527
-
N-acetyl-beta-glucosaminylamine
N-Acetyl-beta-glucosaminylamine
ME820486
439454
C01239
759
-
adenosine 3'-monophosphate (3'-AMP)
3'-AMP
ME820346
41211
C01367
1245
-
uridine 3'-monophosphate (3'-UMP)
3'-UMP
ME820561
101543
C01368
750
-
apigenin
Apigenin
ME820354
5280443
C01477
3845
-
ferulate
trans-Ferulic acid
ME820416
445858
C01494
1755
-
stearate (18:0)
Stearic acid
ME820539
5281
C01530
5872
-
caprate (10:0)
Capric acid
ME820367
2969
C01571
5090.7
-
caproate (6:0)
Caproic acid
ME820368
8892
C01585
2713.7
-
hippurate
Hippuric acid
ME820453
464
C01586
2106.9
-
linoleate (18:2n6)
Linoleic acid
ME820477
5280450
C01595
5535
-
kynurenate
Kynurenic acid
ME820473
3845
C01717
2224
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME820297
10394
C01744
1670
-
xanthosine
Xanthosine
ME820573
64959
C01762
1075
-
erythrose
Erythrose
ME820413
94176
C01796
780
-
5-oxoproline
Pyroglutamic acid
ME820335
7405
C01879
738.5
-
1-myristoylglycerol (14:0)
MG 16:3
ME820246
79050
C01885
6353.3
-
glycocholate
Glycocholic acid
ME820441
10140
C01921
5163
-
indolelactate
Indolelactic acid
ME820463
92904
C02043
2286
-
pseudouridine
Pseudouridine
ME820529
15047
C02067
1100
-
phenol sulfate
Phenyl hydrogen sulfate
ME820523
74426
C02180
2156
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME820542
45
C02287
610
-
adenosine-2',3'-cyclic monophosphate
2',3' cyclic AMP
ME820347
2024
C02353
1793
-
uridine-2',3'-cyclic monophosphate
2',3' cyclic UMP
ME820562
439715
C02355
1090
-
chenodeoxycholate
Chenodeoxycholic acid
ME820371
10133
C02528
5264
-
dodecanedioate (C12-DC)
Dodecanedioic acid
ME820402
12736
C02678
2990
-
laurate (12:0)
Lauric acid
ME820475
3893
C02679
5300
-
N-acetylleucine
N-Acetylleucine
ME820489
70912
C02710
2400
-
N-acetylmethionine
N-Acetylmethionine
ME820490
448580
C02712
1787
-
N-acetylmuramate
N-Acetylmuramic acid
ME820491
5462244
C02713
860
-
2-hydroxystearate
2-Hydroxystearic acid
ME820284
69417
C03045
5695
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME820496
700653
C03137
2630
-
N-formylmethionine
N-Formylmethionine
ME820502
439750
C03145
1543.8
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME820390
5280581
C03242
5596
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME820351
83697
C03264
1840
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME820492
74839
C03519
2597
-
1-kestose
1-Kestose
ME820238
440080
C03661
1054
-
lithocholate
Lithocholic acid
ME820480
9903
C03990
5372
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME820252
6419701
C04036
5600
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME820525
92258
C04148
2330
-
chrysoeriol (3'-O-methylluteolin)
Chrysoeriol
ME820377
5280666
C04293
3870
-
deoxycholate
Deoxycholic acid
ME820387
222528
C04483
5294
-
taurocholate
Taurocholic acid
ME820546
6675
C05122
5150
-
taurodeoxycholate
Taurodeoxycholic acid
ME820548
2733768
C05463
5257.4
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME820544
387316
C05465
5250
-
2'-deoxyinosine
Deoxyinosine
ME820273
65058
C05512
1688
-
phenyllactate (PLA)
Phenyllactic acid
ME820527
3848
C05607
2208
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME820318
107
C05629
2860
-
I-urobilinogen
Mesobilirubinogen
ME820458
26818
C05790
4190
-
tyrosol
Tyrosol
ME820556
10393
C06044
2716
-
guanosine-2',3'-cyclic monophosphate
2',3' cyclic GMP
ME820446
92823
C06194
1480
-
biopterin
Biopterin
ME820362
445040
C06313
1398
-
caprylate (8:0)
Caprylic acid
ME820369
379
C06423
4362
-
myristate (14:0)
Myristic acid
ME820483
11005
C06424
5440
-
arachidate (20:0)
Arachidic acid
ME820355
10467
C06425
6240
-
linolenate [alpha or gamma; (18:3n3 or 6)]
gamma-Linolenic acid
ME820478
5280934
C06426
5450
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME820405
446284
C06428
5450
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME820397
445580
C06429
5525
-
genistein
Genistein
ME820434
5280961
C06563
3754
-
vanillate
Vanillic acid
ME820569
8468
C06672
1100
-
phenylacetate
Phenyl acetate
ME820524
999
C07086
2150
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME820234
64960
C07326
802
-
ursodeoxycholate
Ursodeoxycholic acid
ME820564
31401
C07880
5055
-
azelate (C9-DC)
Azelaic acid
ME820357
2266
C08261
1276
-
isovalerate (i5:0)
Isovaleric acid
ME820471
10430
C08262
1564
-
sebacate (C10-DC)
Sebacic acid
ME820534
5192
C08277
1788
-
behenate (22:0)*
Behenic acid
ME820358
8215
C08281
6745
-
erucate (22:1n9)
cis-Erucic acid
ME820412
5281116
C08316
6355.6
-
myristoleate (14:1n5)
Myristoleic acid
ME820484
5281119
C08322
5346.9
-
nervonate (24:1n9)*
Nervonic acid
ME820510
5281120
C08323
6804
-
palmitoleate (16:1n7)
Palmitoleic acid
ME820520
445638
C08362
5475
-
3-formylindole
1H-Indole-3-carboxaldehyde
ME820302
10256
C08493
3709
-
soyasaponin I
Soyasaponin I
ME820536
122097
C08983
5163
-
daidzein
Daidzein
ME820381
5281708
C10208
3566
-
daidzin (daidzein 7-O-glucoside)
Daidzin
ME820385
107971
C10216
3217
-
syringic acid
Syringic acid
ME820541
10742
C10833
1450
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME820295
91
C11457
1980
-
soyasaponin II
Soyasaponin II
ME820537
171435
C12081
5175
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME820485
5255
C12270
575.3
-
pantethine
-
ME820521
452306
C12661
3590
-
equol
Equol
ME820410
91469
C14131
4565
-
12(13)-EpOME
12(13)-EpOME
ME820265
5283014
C14826
5323
-
9,10-DiHOME
9,10-DiHOME
ME820344
9966640
C14828
5180
-
12,13-DiHOME
12,13-DiHOME
ME820266
10236635
C14829
5137
-
6-beta-hydroxylithocholate
Murideoxycholic acid
ME820336
5283821
C15515
4830
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME820398
6441454
C16513
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME820399
6441454
C16513
5624.5
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME820389
6439848
C16525
5730
-
eicosenoate (20:1)
cis-Gondoic acid
ME820406
5282768
C16526
5950
-
adrenate (22:4n6)
Adrenic acid
ME820348
5497181
C16527
5678
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME820395
5282807
C16533
6034
-
nonadecanoate (19:0)
Nonadecenoic acid
ME820511
12591
C16535
6068
-
pentadecanoate (15:0)
Pentadecylic acid
ME820522
13849
C16537
5521
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME820340
3081085
C17337
5288.1
-
alpha-muricholate
alpha-Muricholic acid
ME820352
3083761
C17647
4765
-
hyocholate
Hyocholic acid
ME820457
92805
C17649
5046
-
heptanoate (7:0)
Heptylic acid
ME820448
8094
C17714
3670
-
beta-muricholate
beta-Muricholic acid
ME820361
5283853
C17726
4794
-
16-hydroxypalmitate
Juniperic acid
ME820270
10466
C18218
5236.2
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME820450
10459
C19615
4615
-
docosadioate (C22-DC)
Docosanedioic acid
ME820396
244872
C19625
5291.8
-
indole-3-carboxylate
Indole-3-carboxylic acid
ME820459
69867
C19837
1710
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME820360
72715786
C20775
530
-
saccharin
Saccharin
ME820533
5143
D01085
2000
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME820262
5312435
-
5555
-
10-hydroxystearate
Rosilic acid
ME820263
9561835
-
5370
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME820264
5312513
-
5780
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME820235
-
-
6285
-
1,1-kestotetraose
-
ME820232
166775
-
1381
-
1,2,3-benzenetriol sulfate (2)
-
ME820233
-
-
1709
-
12-dehydrocholate
12-Ketochenodeoxycholic acid
ME820267
94235
-
4871
-
12-ketolithocholate
12-Ketolithocholic acid
ME820268
3080612
-
5130
-
(12 or 13)-methylmyristate (a15:0 or i15:0)
Isopentadecylic acid
ME820213
151014
-
5499
-
13-HODE + 9-HODE
HODE
ME820269
-
-
5275
-
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME820214
-
-
5695
-
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME820215
3083779
-
5993
-
18-methylnonadecanoate (i20:0)
Isoarachidic acid
ME820271
4383090
-
6170
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME820236
42607465
-
5874
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME820237
-
-
2844
-
1-linoleoyl-digalactosylglycerol (18:2)*
-
ME820239
5317594
-
5820
-
1-linoleoyl-galactosylglycerol (18:2)*
-
ME820240
5320254
-
5966
-
1-linoleoylglycerol (18:2)
MG 18:2
ME820244
5283469
-
6477
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME820241
-
-
5483
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME820242
-
-
5516
-
1-linoleoyl-GPI (18:2)*
LPI 18:2/0:0
ME820243
-
-
5494
-
1-methylguanine
1-Methylguanine
ME820245
70315
-
1643
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME820249
5283468
-
6650
-
1-oleoyl-GPA (18:1)
LPA 18:1/0:0
ME820247
5497152
-
5615
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME820248
-
-
5610
-
1-palmitoyl-digalactosylglycerol (16:0)*
-
ME820250
-
-
5979
-
1-palmitoyl-galactosylglycerol (16:0)*
1-Palmitoyl-galactosylglycerol
ME820251
10413348
-
6161
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME820256
14900
-
6550
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME820253
3300276
-
5570
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME820254
-
-
5564
-
1-palmitoyl-GPS (16:0)*
LPS 16:0/0:0
ME820255
9547100
-
5572
-
1-pentadecanoylglycerol (15:0)
MG 15:0
ME820257
190750
-
6200
-
1-stearoyl-GPA (18:0)
LPA 18:0/0:0
ME820258
89567
-
5829
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME820259
-
-
5816
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME820260
-
-
5794
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME820261
9547101
-
5800
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME820276
181670
-
1677
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME820277
164623
-
1800
-
2-hydroxyarachidate*
2-Hydroxyeicosanoic acid
ME820278
5225199
-
5990
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME820279
193484
-
6384
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME820280
21488
-
4840
-
2-hydroxynervonate*
Hydroxynervonic acid
ME820281
5312783
-
6345
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME820282
92836
-
5511.2
-
2-hydroxysebacate
2-Hydroxy-decanedioic acid
ME820283
128458
-
1324
-
2-linoleoylglycerol (18:2)
MG 18:2
ME820285
5365676
-
6250
-
2-methylcitrate/homocitrate
Homocitric acid
ME820286
-
-
575
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME820287
5319879
-
6500
-
2'-O-methyluridine
2'-O-Methyluridine
ME820275
102212
-
1831
-
(2 or 3)-decenoate (10:1n7 or n8)
Decenoic acid
ME820216
-
-
4990
-
2-oxindole-3-acetate
2-Oxindole-3-acetate
ME820288
3080590
-
2076
-
2-palmitoyl-digalactosylglycerol (16:0)*
DGMG 0:0/16:0*
ME820289
-
-
5890
-
2-palmitoyl-galactosylglycerol (16:0)*
-
ME820290
-
-
6060
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME820292
123409
-
6400
-
2-palmitoyl-GPC (16:0)*
LPC 0:0/16:0
ME820291
15061532
-
6215
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME820293
-
-
6350
-
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME820296
187488
-
1294
-
(3'-5')-adenylyladenosine*
ApA
ME820217
94231
-
2173
-
(3'-5')-adenylylcytidine
ApC
ME820218
10875494
-
1920
-
(3'-5')-adenylylguanosine*
ApG
ME820219
444337
-
1980
-
(3'-5')-adenylyluridine
ApU
ME820220
112074
-
2002
-
(3'-5')-cytidylyladenosine
CpA
ME820221
91519
-
1754
-
(3'-5')-cytidylylcytidine*
CpC
ME820222
94237
-
1472
-
(3'-5')-cytidylylguanosine
CpG
ME820223
65101
-
1537
-
(3'-5')-cytidylyluridine*
CpU
ME820224
-
-
1522
-
(3'-5')-guanylyladenosine*
GpA
ME820225
-
-
1950
-
(3'-5')-guanylylcytidine
GpC
ME820226
107595
-
1670
-
(3'-5')-guanylyluridine
GpU
ME820227
-
-
1772
-
(3'-5')-uridylyladenosine
UpA
ME820228
273124
-
1871
-
(3'-5')-uridylylcytidine*
UpC
ME820229
-
-
1591
-
(3'-5')-uridylylguanosine
UpG
ME820230
107394
-
1637
-
(3'-5')-uridylyluridine
UpU
ME820231
102258
-
1688
-
3-acetylphenol sulfate
3-Acetylphenol sulfate
ME820298
-
-
2477
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME820319
92997
-
5205
-
3-dehydrocholate
3-Dehydrocholic acid
ME820299
159655
-
5050
-
3-dehydrodeoxycholate
3-Ketodeoxycholic acid
ME820300
160738
-
5235
-
3-deoxyoctulosonate
-
ME820301
4636210
-
654.9
-
3-hydroxybehenate*
3-Hydroxy behenic acid
ME820303
5282921
-
6290
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME820304
26612
-
4634.7
-
3-hydroxydodecanedioate*
3-Hydroxy-dodecanedioic acid
ME820305
16663321
-
2252
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME820306
151492
-
1725
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME820307
94216
-
5175
-
3-hydroxymargaroylglycine
-
ME820308
10545348
-
5555
-
3-hydroxymyristate
3-Hydroxytetradecanoic acid
ME820309
16064
-
5335
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME820310
26613
-
3446
-
3-hydroxypalmitate
3-Hydroxyhexadecanoic acid
ME820311
301590
-
5476
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME820312
-
-
1595.5
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME820313
3017884
-
1282
-
3-hydroxystearate
3-Hydroxystearic acid
ME820314
5282907
-
5674
-
3-indoleglyoxylic acid
-
ME820315
73863
-
2140
-
3-indoxyl sulfate
Indoxyl sulfate
ME820316
10258
-
2222.2
-
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME820320
4684006
-
2375
-
4-chlorobenzoic acid
4-Chlorobenzoic acid
ME820321
-
-
3015
-
4-hydroxycinnamate sulfate
4-Hydroxycinnamate sulfate
ME820324
6070438
-
1000
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME820325
151012
-
1475
-
4-hydroxyphenylacetate sulfate
-
ME820327
-
-
867
-
4-thiouracil
4-Thiouracil
ME820331
2734394
-
1345
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME820332
94312
-
1119
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME820333
5312378
-
5224
-
5-methyluridine (ribothymidine)
Ribothymidine
ME820334
445408
-
1778.1
-
6-oxolithocholate
6-Ketolithocholic acid
ME820337
164960
-
5033
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME820338
3014237
-
965
-
7,12-diketolithocholate
7,12-Diketolithocholic acid
ME820339
3080560
-
4215
-
7-ketodeoxycholate
7-Ketodeoxycholic acid
ME820341
188292
-
4821
-
7-ketolithocholate
7-Ketolithocholic acid
ME820342
444262
-
5082
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME820343
69820
-
2300
-
alpha-CEHC glucuronide*
-
ME820349
134819285
-
2616
-
alpha-CEHC glycine*
-
ME820350
-
-
4076
-
ampicillin
Ampicillin
ME820353
-
-
3322
-
branched chain 14:0 dicarboxylic acid**
-
ME820363
-
-
3849
-
branched-chain, straight-chain, or cyclopropyl 12:...
-
ME820364
-
-
5261
-
butyrylglycine
-
ME820366
88412
-
1470
-
catechol sulfate
Catechol sulfate
ME820370
3083879
-
1906
-
chenodeoxycholic acid sulfate (1)
Chenodeoxycholic acid sulfate
ME820372
-
-
4531
-
chenodeoxycholic acid sulfate (3)
Chenodeoxycholic acid sulfate
ME820373
-
-
4940
-
chlorogenate
Chlorogenic acid
ME820374
5315832
-
1732
-
cholate sulfate
-
ME820376
-
-
4557
-
cinnamoylglycine
Cinnamoylglycine
ME820378
709625
-
3127
-
cis-4-decenoate (10:1n6)*
4Z-Decenoic acid
ME820379
5312351
-
4890
-
daidzein 7-O-glucuronide
Daidzein 7-O-glucuronide
ME820382
11316354
-
2580
-
daidzein sulfate (1)
-
ME820383
-
-
2843
-
daidzein sulfate (2)
-
ME820384
-
-
3330
-
dehydrolithocholate
Dehydrolithocholic acid
ME820386
159623
-
5360
-
digalactosylglycerol*
Galactosylglycerol
ME820388
-
-
781
-
dihydrocaffeate sulfate (2)
-
ME820391
49844181
-
930
-
dihydroferulate
Dihydroferulic acid
ME820392
14340
-
1928
-
dihydroferulic acid sulfate
Dihydroferulic acid 4-sulfate
ME820393
187489
-
1310
-
diosmin (diosmetin 7-rutinoside)
Diosmin
ME820394
5702226
-
3905
-
docosatrienoate (22:3n6)*
10Z,13Z,16Z-Docosatrienoic acid
ME820400
-
-
5850
-
dodecadienoate (12:2)*
Dodecadienoic acid
ME820401
-
-
5146
-
dodecenedioate (C12:1-DC)*
Traumatic acid
ME820403
-
-
2700
-
eicosanedioate (C20-DC)
Eicosanedioic acid
ME820404
75502
-
5200.9
-
enterodiol
Enterodiol
ME820407
123725
-
4327
-
enterolactone
Enterolactone
ME820408
10685477
-
4515
-
enterolactone sulfate
-
ME820409
-
-
3746
-
equol sulfate
-
ME820411
-
-
3630
-
ethyl alpha-glucopyranoside
-
ME820414
428040
-
1576
-
ethyl beta-glucopyranoside
-
ME820415
121667
-
1519
-
ferulic acid 4-sulfate
Ferulic acid 4-sulfate
ME820417
6305574
-
1200
-
ferulylglycine (1)
-
ME820418
-
-
2239
-
ferulylglycine (2)
-
ME820419
-
-
2172
-
Flavone derivative C26H28O14 (1)*
-
ME820422
-
-
2186
-
Flavone derivative C26H28O14 (2)*
-
ME820423
-
-
2234
-
Flavone derivative C26H28O14 (3)*
-
ME820424
-
-
2289
-
Flavone derivative C26H28O14 (4)*
-
ME820425
-
-
2397
-
Flavone derivative C26H28O14 (5)*
-
ME820426
-
-
2457
-
Flavone derivative C26H28O14 (6)*
-
ME820427
-
-
2510
-
Flavone derivative C26H28O14 (7)*
-
ME820428
-
-
2567
-
fructose 1,6-diphosphate/glucose 1,6-diphosphate/m...
Fructose 1,6-bisphosphate
ME820430
-
-
551
-
gamma-CEHC glycine*
-
ME820431
-
-
3900
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME820432
14253342
-
1600
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME820433
151023
-
1685
-
genistein glucuronide*
-
ME820435
-
-
2895
-
genistein sulfate*
-
ME820436
-
-
3616
-
glycitein glucuronide (2)*
-
ME820438
-
-
2733
-
glycitein sulfate (2)
-
ME820439
-
-
3400
-
glyco-beta-muricholate**
Gly-betaMCA
ME820440
-
-
4762
-
glycocholate sulfate
-
ME820442
-
-
4560
-
guanosine 3'-monophosphate (3'-GMP)
Guanosine 3'-monophosphate
ME820444
3522
-
773.9
-
heptadecanedioate (C17-DC)
-
ME820447
3083765
-
4869
-
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME820449
13932172
-
5398
-
hexadecatrienoate (16:3n3)
7,10,13-Hexadecatrienoic acid
ME820451
5312428
-
5330
-
hexadecenedioate (C16:1-DC)*
-
ME820452
-
-
4380
-
hydroxy-undecanedioate (OH-C11:0-DC)*
-
ME820456
-
-
1482
-
indoleacetylglycine
N-Indoleacetylglycine
ME820461
446640
-
2610
-
indoleacrylate
Indoleacrylic acid
ME820462
15030923
-
2511
-
indolepropionate
3-Indolepropionic acid
ME820464
3744
-
2795
-
inositol pentakisphosphate
-
ME820466
-
-
522
-
inositol trisphosphate
-
ME820467
-
-
541
-
isobutyrylglycine
Isobutyrylglycine
ME820468
10855600
-
1420
-
isohyodeoxycholate
Isohyodeoxycholic acid
ME820469
5283822
-
4980
-
isoleucylglycine
Ile-Gly
ME820470
342532
-
1992
-
isovalerylglycine
Isovalerylglycine
ME820472
546304
-
1950
-
lactobacillic acid
Lactobacillic acid
ME820474
10417
-
5822
-
leucylglycine
Leu-Gly
ME820476
79070
-
2050
-
linoleoyl ethanolamide
Linoleoyl-EA
ME820479
5283446
-
6150
-
margarate (17:0)
Margaric acid
ME820482
10465
-
5731
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME820507
161466
-
2164
-
N6-succinyladenosine
Succinyladenosine
ME820508
165243
-
940
-
N-acetylisoleucine
N-Acetylisoleucine
ME820487
306109
-
2325
-
N-acetylkynurenine (2)
N-Acetylkynurenine
ME820488
-
-
2378
-
N-acetylpyrraline
Dehydroepiandrosterone
ME820493
-
-
2545
-
N-acetyltaurine
N-Acetyltaurine
ME820494
159864
-
800
-
N-acetylthreonine
N-Acetylthreonine
ME820495
152204
-
821.6
-
N-acetyltyrosine
N-Acetyltyrosine
ME820497
68310
-
1680
-
N-acetylvaline
N-Acetylvaline
ME820498
66789
-
1704
-
N-butyryl-isoleucine
-
ME820499
-
-
3425
-
N-butyryl-leucine
-
ME820500
-
-
3470
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME820501
9920500
-
858
-
N-formylphenylalanine
N-Formylphenylalanine
ME820503
759256
-
2360
-
N-linoleoylglycine
-
ME820504
6433346
-
5510
-
N-linoleoyltaurine*
NA-Taurine 18:2(9Z,12Z)
ME820505
-
-
5505
-
N-palmitoylglycine
-
ME820506
151008
-
5580
-
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME820513
-
-
4676
-
octadecanedioate (C18-DC)
Octadecanedioic acid
ME820514
70095
-
5043
-
octadecenedioate (C18:1-DC)
-
ME820515
-
-
4875
-
oleate/vaccenate (18:1)
Oleic acid
ME820516
-
-
5655
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME820512
514186
-
990
-
phenylacetyltaurine
-
ME820526
2179693
-
2494
-
pyrraline
Pyrraline
ME820531
122228
-
2304
-
soyasaponin III
Soyasaponin III
ME820538
-
-
5176
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME820543
168408
-
4774
-
taurochenodeoxycholic acid (7 or 27)-sulfate
-
ME820545
-
-
4928
-
taurocholenate sulfate*
Taurocholenate sulfate
ME820547
-
-
4750
-
taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME820549
119046
-
5073
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME820550
9848818
-
5025
-
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME820551
5312409
-
5292
-
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME820552
13185
-
3985
-
tyrosylglycine
Tyr-Gly
ME820557
259323
-
1635
-
undecanedioate (C11-DC)
Undecanedioic acid
ME820558
15816
-
2440
-
ursocholate
Ursocholic acid
ME820563
-
-
4648
-
valerylglycine
-
ME820566
4737557
-
2071
-
vanillactate
Vanillactic acid
ME820568
160637
-
1625
-
vanillic acid glycine
-
ME820570
3083688
-
1682
-
vanillic alcohol sulfate
-
ME820571
-
-
1808
-
vanillin sulfate
-
ME820572
-
-
2242
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
pyruvate
Pyruvic acid
ME820669
1060
C00022
1083
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME820609
51
C00026
2700
-
glucose
Glucose
ME820634
5793
C00031
2342
-
succinate
Succinic acid
ME820680
1110
C00042
3149
-
sucrose
Sucrose
ME820682
5988
C00089
3092
-
fructose
Fructose
ME820627
5984
C00095
2065
-
ribose
Ribose
ME820673
5779
C00121
1508.2
-
fumarate
Fumaric acid
ME820628
444972
C00122
3084
-
myo-inositol
Myo-inositol
ME820655
892
C00137
3506.3
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME820600
49
C00141
911
-
mannose
Mannose
ME820651
18950
C00159
2200
-
xylose
Xylose
ME820685
135191
C00181
1727
-
lactate
Lactic acid
ME820643
612
C00186
1469
-
glucuronate
Glucuronic acid
ME820636
444791
C00191
3233.3
-
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME820586
161227
C00204
1900
-
maltose
Maltose
ME820646
10991489
C00208
3329.4
-
arabinose
Arabinose
ME820610
66308
C00216
1804.5
-
gluconate
Gluconic acid
ME820633
10690
C00257
2922
-
gulonate*
Gulonic acid
ME820639
152304
C00257
2750
-
glycerate
Glyceric acid
ME820638
752
C00258
2070.4
-
homoserine
Homoserine
ME820640
12647
C00263
2875.8
-
orotate
Orotic acid
ME820663
967
C00295
1638.1
-
quinate
Quinic acid
ME820670
6508
C00296
2432.9
-
dihydroorotate
4,5-Dihydroorotic acid
ME820622
648
C00337
1910
-
malonate
Malonic acid
ME820645
867
C00383
3447
-
N-carbamoylaspartate
N-Carbamoylaspartic acid
ME820658
93072
C00438
3800
-
ribitol
Ribitol
ME820671
6912
C00474
1789.6
-
glutarate (C5-DC)
Glutaric acid
ME820637
743
C00489
2900
-
allantoic acid
Allantoic acid
ME820605
203
C00499
2960
-
erythritol
Erythritol
ME820624
222285
C00503
1491
-
pantoate
(R)-Pantoic acid
ME820665
439251
C00522
1100
-
gentisate
Gentisic acid
ME820632
3469
C00628
905
-
glucose 6-phosphate
Glucose 6-phosphate
ME820635
5958
C00668
4537
-
mannitol/sorbitol
Sorbitol
ME820649
5780
C00794
2320
-
salicylate
Salicylic acid
ME820676
338
C00805
802
-
galactonate
Galactonic acid
ME820629
128869
C00880
3085
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME820657
65065
C01042
3143
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME820597
441
C01089
1480
-
maleate
Maleic acid
ME820644
444266
C01384
2640
-
stachyose
Stachyose
ME820678
439531
C01613
5280
-
threonate
Threonic acid
ME820683
151152
C01620
2384
-
ribonate
Ribonic acid
ME820672
5460677
C01685
2425
-
maltotriose
Maltotriose
ME820648
439586
C01835
4286.4
-
maltotetraose
Maltotetraose
ME820647
446495
C02052
5000
-
mevalonate
Mevalonic acid
ME820654
439230
C02104
1462
-
methylmalonate (MMA)
Methylmalonic acid
ME820652
487
C02170
3078.4
-
allantoin
Allantoin
ME820606
204
C02350
1672
-
cytidine 2',3'-cyclic monophosphate
2',3' cyclic CMP
ME820621
417654
C02354
2368
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME820580
193530
C02360
3000
-
2-isopropylmalate
2-Isopropylmalic acid
ME820585
77
C02504
2605
-
3-dehydroshikimate
3-Dehydroshikimate
ME820594
80
C02637
1962
-
pimelate (C7-DC)
Pimelic acid
ME820667
385
C02656
2745
-
N6-acetyllysine
N6-Acetyllysine
ME820662
92832
C02727
2612.6
-
N-acetylalanine
N-Acetylalanine
ME820656
88064
C02847
1564.8
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME820593
9378
C03672
1390.6
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME820595
1662
C03761
2850
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME820575
677
C04039
1050
-
galactosylglycerol
Galactosylglycerol
ME820630
16048618
C05401
2518
-
hydantoin-5-propionate
Hydantoin-5-propionic acid
ME820641
782
C05565
2080
-
3-hydroxyphenylacetate
3-Hydroxyphenylacetic acid
ME820598
12122
C05593
1220
-
N-formylanthranilic acid
Formylanthranilic acid
ME820659
101399
C05653
900
-
cysteine s-sulfate
Cysteine-S-sulfate
ME820620
115015
C05824
2273
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME820584
11970
C05852
858.6
-
adipate (C6-DC)
Adipic acid
ME820604
196
C06104
3000
-
suberate (C8-DC)
Suberic acid
ME820679
10457
C08278
2577.6
-
galacturonate
Galacturonic acid
ME820631
84740
C08348
3527.2
-
N2-acetyllysine
N(2)-Acetyllysine
ME820661
92907
C12989
3372.6
-
2-hydroxylignocerate*
Cerebronic acid
ME820583
102430
C17873
710
-
tricarballylate
1,2,3-Propanetricarboxylic acid
ME820684
14925
C19806
4200
-
chiro-inositol
1D-chiro-Inositol
ME820617
-
C19891
3191.2
-
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME820574
301941
-
1318
-
2,4,6-trihydroxybenzoate
2,4,6-Trihydroxybenzoic acid
ME820576
66520
-
781
-
2,4-dihydroxybutyrate
2,4-Dihydroxybutanoic acid
ME820577
192742
-
1793
-
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME820578
9338
-
729
-
2-hydroxy-4-(methylthio)butanoic acid
2-Hydroxy-4-(methylthio)butanoic acid
ME820579
-
-
1065
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME820581
-
-
1258
-
2-hydroxyheptanoate*
2-Hydroxy enanthoic acid
ME820582
2750949
-
925
-
2-O-methylascorbic acid
2-O-Methylascorbic acid
ME820587
99779
-
1512
-
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME820588
13120901
-
1543
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME820589
10964471
-
1660
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME820590
-
-
2204
-
3,5-dihydroxybenzoic acid
3,5-Dihydroxybenzoic acid
ME820591
7424
-
1500
-
3,5-dihydroxyphenylpropionate
-
ME820592
161525
-
1420
-
3-hydroxyadipate*
3-Hydroxy-adipic acid
ME820596
151913
-
3131
-
3-hydroxysuberate
3-Hydroxysuberic acid
ME820599
22328017
-
3000
-
3-methyladipate
3-Methyladipic acid
ME820601
12292
-
2865
-
3-methylglutaconate
3E-Methylglutaconic acid
ME820602
1551553
-
2700
-
3-methylglutarate/2-methylglutarate
Methylglutaric acid
ME820603
-
-
2832
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME820607
99823
-
1052
-
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME820608
48
-
1916
-
arabitol/xylitol
Arabitol
ME820611
-
-
1932.4
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME820612
-
-
2700
-
ascorbic acid 2-sulfate
-
ME820613
86484
-
3042
-
ascorbic acid 3-sulfate*
-
ME820614
11425365
-
2025
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME820615
69362
-
1149.8
-
caffeic acid sulfate
-
ME820616
-
-
1307
-
cis-urocanate
Urocanic acid
ME820618
1549103
-
1195
-
citraconate/glutaconate
Citraconic acid/Glutaconic acid
ME820619
-
-
2600
-
dimethylmalonic acid
Dimethylmalonic acid
ME820623
11686
-
2702
-
erythronate*
Erythronic acid
ME820625
2781043
-
2186
-
ethylmalonate
Ethylmalonic acid
ME820626
11756
-
2785
-
isocitric lactone
Isocitric acid lactone
ME820642
98259
-
2970
-
mannonate*
Mannonic acid
ME820650
3246006
-
2736
-
methylsuccinate
Methylsuccinic acid
ME820653
10349
-
2800
-
N2,N6-diacetyllysine
N,N'-Diacetyl-lysine
ME820660
91827
-
1554
-
orotidine
Orotidine
ME820664
92751
-
2250
-
pentose acid*
Valeric acid
ME820666
-
-
2180
-
propionylglycine
Propionylglycine
ME820668
98681
-
1502.5
-
ribulonate/xylulonate/lyxonate*
-
ME820674
-
-
2350
-
ribulose/xylulose
Xylulose
ME820675
-
-
1400
-
sedoheptulose
Glucoheptulose
ME820677
5459879
-
2255
-
succinoyltaurine
-
ME820681
-
-
2572
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel