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 ST002836 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
(N(1) + N(8))-acetylspermidine
Asparagine
ME736796
-
-
3080
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME736797
53481617
-
2400
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME736798
-
-
2340
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME736799
75810
C05828
2064
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME736800
6451814
-
1989
-
1-methyladenine
1-Methyladenine
ME736801
78821
C02216
2133
-
1-methylnicotinamide
1-Methyl nicotinamide
ME736802
10129985
C02918
1940
-
1-ribosyl-imidazoleacetate*
Imidazoleacetic acid riboside
ME736803
5117448
C05131
2006
-
2'-deoxyadenosine
Deoxyadenosine
ME736804
13730
C00559
2252
-
2'-deoxyadenosine 5'-monophosphate
dAMP
ME736805
12599
C00360
1284
-
2'-deoxycytidine
Deoxycytidine
ME736806
13711
C00881
2193
-
2'-deoxycytidine 5'-monophosphate
dCMP
ME736807
13945
C00239
975
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME736808
150971
-
2411
-
2,8-quinolinediol
Quinoline-2,8-diol
ME736809
97250
C06342
2514
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME736810
43
C02630
958
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME736811
6426901
-
3050
-
2-oxoarginine*
2-Oxoarginine
ME736812
558
C03771
1760
-
2-piperidinone
2-Piperidinone
ME736813
12665
-
1675
-
2-pyrrolidineacetic acid
2-Pyrrolidineacetic acid
ME736814
123784
-
2248
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME736815
64956
C05145
2190
-
3-sulfo-L-alanine
Cysteic acid
ME736816
72886
C00506
570
-
3-ureidoisobutyrate
Ureidoisobutyric acid
ME736817
160663
C05100
1207
-
3-ureidopropionate
Ureidopropionic acid
ME736818
111
C02642
875
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME736819
500
C01035
2320
-
4-imidazoleacetate
Imidazoleacetic acid
ME736820
96215
C02835
2055
-
5-aminovalerate
5-Aminopentanoic acid
ME736821
138
C00431
2220
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME736822
1826
C05635
1893
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME736823
439176
C00170
2752
-
7-methylguanine
7-Methylguanine
ME736824
11361
C02242
2175
-
acetylcarnitine (C2)
CAR 2:0
ME736825
1
C02571
2282
-
adenine
Adenine
ME736826
190
C00147
2221
-
adenosine
Adenosine
ME736827
60961
C00212
2169
-
adenosine 5'-monophosphate (AMP)
AMP
ME736828
6083
C00020
1013
-
agmatine
Agmatine
ME736829
199
C00179
3057
-
alanine
Alanine
ME736830
5950
C00041
1700
-
alanylleucine
Ala-Leu
ME736831
259583
-
3055
-
anserine
Anserine
ME736832
112072
C01262
2924
-
arginine
Arginine
ME736833
232
C00062
2825
-
ascorbate (Vitamin C)
Vitamin C
ME736834
-
C00072
770
-
asparagine
Asparagine
ME736835
6267
C00152
1225
-
aspartate
Aspartic acid
ME736836
5960
C00049
1165
-
beta-alanine
beta-Alanine
ME736837
239
C00099
1905
-
betaine
Betaine
ME736838
247
C00719
1064
-
betaine aldehyde
Betaine aldehyde
ME736839
249
C00576
1915
-
biotin
Biotin
ME736840
171548
C00120
2253
-
butyrylcarnitine (C4)
CAR 4:0
ME736841
439829
C02862
2860
-
cadaverine
Cadaverine
ME736842
273
C01672
3036
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME736843
2572
-
2085
-
carnitine
Carnitine
ME736844
10917
C00318
1978
-
choline
Choline
ME736845
305
C00114
1961
-
choline phosphate
Choline phosphate
ME736846
1014
C00588
700
-
citrulline
Citrulline
ME736847
9750
C00327
1520
-
creatine
Creatine
ME736848
586
C00300
1947
-
creatinine
Creatinine
ME736849
588
C00791
2055
-
cystathionine
Cystathionine
ME736850
439258
C02291
2270
-
cysteine
Cysteine
ME736851
5862
C00097
1475
-
cysteine sulfinic acid
3-Sulfino-alanine
ME736852
109
C00606
597
-
cysteinylglycine
Cys-Gly
ME736853
439498
C01419
2132
-
cysteinylglycine disulfide*
Cysteinylglycine disulfide
ME736854
-
-
2547
-
cystine
Cystine
ME736855
67678
C00491
2000
-
cytidine
Cytidine
ME736856
6175
C00475
2124
-
cytidine 5'-monophosphate (5'-CMP)
CMP
ME736857
6131
C00055
835
-
cytosine
Cytosine
ME736858
597
C00380
2060
-
deoxycarnitine
3-Dehydroxycarnitine
ME736859
134
C01181
2052
-
diacetylspermidine*
-
ME736860
-
-
2510
-
diaminopimelate
2,6-Diaminopimelic acid
ME736861
439283
C00666
2569
-
dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME736862
1879
C00268
1930
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME736863
123831
C03626
2850
-
dimethylglycine
Dimethylglycine
ME736864
673
C01026
1104
-
ergothioneine
Ergothioneine
ME736865
3032311
C05570
850
-
ethyl alpha-glucopyranoside
-
ME736866
428040
-
1248
-
formiminoglutamate
Formiminoglutamic acid
ME736867
439233
C00439
1880
-
fructosyllysine
Fructosyllysine
ME736868
123708
-
2784
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME736869
65254
-
2784
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME736870
7015685
-
2725
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME736871
440103
-
1986
-
gamma-glutamylcitrulline*
-
ME736872
-
-
1644
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME736873
92865
C05282
1775
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME736874
150914
C05283
1430
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME736875
165527
-
1535
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME736876
7017195
-
2740
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME736877
14253342
-
2940
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME736878
151023
-
2991
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME736879
7009567
-
2640
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME736880
111299
-
2992
-
gamma-glutamylserine
gamma-Glu-Ser
ME736881
-
-
1351
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME736882
76078708
-
1750
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME736883
94340
-
2518
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME736884
7015683
-
2700
-
glutamate
Glutamic acid
ME736885
611
C00025
1500
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME736886
68662
-
2170
-
glutamine
Glutamine
ME736887
5961
C00064
1291
-
glutaminylleucine
Gln-Leu
ME736888
-
-
3009
-
glutamyl-meso-diaminopimelate
-
ME736889
-
-
2555
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME736890
754
C00093
580
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME736891
123874
C01233
659
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME736892
167572
-
516
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME736893
71920
C00670
672
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME736894
3081457
-
577
-
glycine
Glycine
ME736895
750
C00037
1375
-
glycylisoleucine
Gly-Ile
ME736896
88079
-
3002
-
glycylleucine
Gly-Leu
ME736897
92843
C02155
3059
-
glycylvaline
Gly-Val
ME736898
97417
-
2734
-
guanidinoacetate
Guanidoacetic acid
ME736899
763
C00581
1937
-
guanine
Guanine
ME736900
764
C00242
2032
-
guanosine
Guanosine
ME736901
6802
C00387
1728
-
histidine betaine (hercynine)*
Hercynine
ME736902
3083620
-
2094
-
histidylalanine
His-Ala
ME736903
351667
-
3014
-
homocitrulline
Homocitrulline
ME736904
65072
C02427
1908
-
homocysteine
Homocysteine
ME736905
778
C00155
2155
-
hydroxymethylpyrimidine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME736906
777
C01279
2207
-
hypotaurine
Hypotaurine
ME736907
107812
C00519
724
-
hypoxanthine
Hypoxanthine
ME736908
790
C00262
1295
-
imidazole lactate
Imidazolelactic acid
ME736909
440129
C05568
2040
-
imidazole propionate
Imidazole propanoate
ME736910
70630
-
2263
-
indolin-2-one
Indolin-2-one
ME736911
321710
C12312
2575
-
inosine
Inosine
ME736912
6021
C00294
1269
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME736913
168379
-
2810
-
isoleucine
Isoleucine
ME736914
6306
C00407
2800
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME736915
6426851
-
3085
-
kynurenine
Kynurenine
ME736916
161166
C00328
2739
-
leucine
Leucine
ME736917
-
-
2864
-
leucylalanine
Leu-Ala
ME736918
259321
-
2801
-
leucylglutamine*
Leu-Gln
ME736919
4305457
-
2620
-
leucylglycine
Leu-Gly
ME736920
79070
-
2778
-
lysine
Lysine
ME736921
5962
C00047
2850
-
lysylleucine
Lys-Leu
ME736922
4682588
-
3370
-
malonylcarnitine
CAR DC3:0
ME736923
22833583
-
2086
-
methionine
Methionine
ME736924
6137
C00073
2526
-
methionine sulfoxide
Methionine sulfoxide
ME736925
158980
C02989
1272
-
methylphosphate
Methanolphosphate
ME736926
13130
-
544
-
mevalonolactone
Mevalonolactone
ME736927
10428
-
1375
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME736928
-
-
2186
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME736929
-
-
2470
-
N,N-dimethyl-5-aminovalerate
N,N-Dimethyl-5-aminovaleric acid
ME736930
-
-
2290
-
N,N-dimethylalanine
N,N-Dimethylalanine
ME736931
5488191
-
1370
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME736932
193270
-
2100
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME736933
193270
-
2056
-
N-acetyl-cadaverine
N-Acetylcadaverine
ME736934
189087
-
2385
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME736935
-
-
2305
-
N-acetylarginine
N-Acetylarginine
ME736936
67427
C02562
2245
-
N-acetylasparagine
N-Acetylasparagine
ME736937
99715
-
785
-
N-acetylcysteine
N-Acetylcysteine
ME736938
12035
C06809
1416
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME736939
24139
-
715
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME736940
123826
C04540
1212
-
N-acetylglutamate
N-Acetylglutamic acid
ME736941
70914
C00624
1050
-
N-acetylglutamine
N-Acetylglutamine
ME736942
182230
C02716
845
-
N-acetylhistamine
N-Acetylhistamine
ME736943
69602
C05135
2287
-
N-acetylhistidine
N-Acetylhistidine
ME736944
75619
C02997
2065
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME736945
193368
-
880
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME736946
439197
C00270
660
-
N-acetylproline
N-Acetyl-proline
ME736947
322640
-
1695
-
N-acetylputrescine
N-Acetylputrescine
ME736948
122356
C02714
2230
-
N-acetylserine
N-Acetylserine
ME736949
65249
-
800
-
N-alpha-acetylornithine
N-Acetylornithine
ME736950
439232
C00437
2000
-
N-carbamoylputrescine
N-Carbamoylputrescine
ME736951
502
C00436
2015
-
N-glycolylneuraminate
N-Glycoloylneuraminic acid
ME736952
123802
C03410
636
-
N-methyl-GABA
4-(Methylamino)butyric acid
ME736953
70703
C15987
2109
-
N-methylalanine
N-Methylalanine
ME736954
5288725
C02721
1580
-
N-methylhydroxyproline**
N-Methyl-4-hydroxyproline
ME736955
-
-
1145
-
N-methylproline
N-Methyl-proline
ME736956
557
-
1335
-
N-monomethylarginine
Targinine
ME736957
132862
C03884
2845
-
N1,N12-diacetylspermine
N1,N12-Diacetylspermine
ME736958
132680
C03413
3105
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME736959
69698
C05842
1250
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME736960
440810
C05843
1260
-
N1-methyladenosine
1-Methyladenosine
ME736961
27476
C02494
2120
-
N1-methylinosine
1-Methylinosine
ME736962
65095
-
1430
-
N2-acetyl,N6-methyllysine
N2-Acetyl,N6-methyllysine
ME736963
-
-
2168
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME736964
440120
C03793
2825
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME736965
123800
-
2500
-
N6-methyladenosine
N6-Methyladenosine
ME736966
1869
-
2264
-
N6-methyllysine
N(6)-Methyllysine
ME736967
164795
C02728
2831
-
N6-succinyladenosine
Succinyladenosine
ME736968
165243
-
1930
-
nicotianamine
(R,S,S)-Nicotianamine
ME736969
9882882
C05324
1800
-
nicotinamide
Niacinamide
ME736970
936
C00153
1942
-
nicotinamide N-oxide
Nicotinamide N-oxide
ME736971
72661
-
877
-
nicotinamide riboside
Nicotinamide riboside
ME736972
439924
C03150
2040
-
nicotinate
Nicotinic acid
ME736973
938
C00253
1673
-
nicotinate ribonucleoside
D-Ribosylnicotinate
ME736974
161234
C05841
1536
-
o-Tyrosine
o-Tyrosine
ME736975
91482
-
2772
-
ornithine
Ornithine
ME736976
6262
C00077
2800
-
pantetheine
Pantetheine
ME736977
439322
C00831
2056
-
pantothenate
Pantothenic acid
ME736978
6613
C00864
1667
-
phenylalanine
Phenylalanine
ME736979
6140
C00079
2878
-
phenylalanylalanine
Phe-Ala
ME736980
5488196
-
2909
-
phenylalanylglycine
Phe-Gly
ME736981
98207
-
2898
-
phosphate
Phosphoric acid
ME736982
1061
C00009
576
-
picolinate
Picolinic acid
ME736983
1018
C10164
910
-
pipecolate
Pipecolic acid
ME736984
849
C00408
2200
-
proline
Proline
ME736985
145742
C00148
1603
-
prolylglycine
Pro-Gly
ME736986
6426709
-
2136
-
propionylcarnitine (C3)
CAR 3:0
ME736987
107738
C03017
2590
-
pterin
Pterin
ME736988
73000
C00715
1805
-
putrescine
Putrescine
ME736989
1045
C00134
3027
-
pyridoxal
Pyridoxal
ME736990
1050
C00250
2343
-
pyridoxamine
Pyridoxamine
ME736991
1052
C00534
2975
-
pyroglutamine*
Pyroglutamine
ME736992
134508
-
1900
-
quinolinate
Quinolinic acid
ME736993
1066
C03722
845
-
riboflavin (Vitamin B2)
Riboflavin
ME736994
493570
C00255
2292
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME736995
1196
C04322
1528
-
S-methylcysteine
Methylcysteine
ME736996
24417
-
1955
-
S-methylmethionine
S-Methylmethionine
ME736997
458
C05319
2555
-
sarcosine
Sarcosine
ME736998
1088
C00213
1280
-
serine
Serine
ME736999
5951
C00065
1239
-
serotonin
Serotonin
ME737000
5202
C00780
2550
-
spermidine
Spermidine
ME737001
1102
C00315
3355
-
stachydrine
Stachydrine
ME737002
115244
C10172
1440
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME737003
71464481
-
2291
-
taurine
Taurine
ME737004
1123
C00245
660
-
thiamin (Vitamin B1)
Thiamine
ME737005
1130
C00378
3050
-
thiamin monophosphate
Thiamine monophosphate
ME737006
3382778
C01081
2378
-
thioproline
Thioproline
ME737007
93176
-
1250
-
threonine
Threonine
ME737008
6288
C00188
1514
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME737009
5810
C01157
1064
-
trans-urocanate
Urocanic acid
ME737010
736715
C00785
2285
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME737011
5570
C01004
1388
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME737012
1145
C01104
2100
-
tryptophan
Tryptophan
ME737013
6305
C00078
2986
-
tryptophylglycine
Trp-Gly
ME737014
263471
-
2930
-
tyramine
Tyramine
ME737015
5610
C00483
2540
-
tyrosine
Tyrosine
ME737016
6057
C00082
2430
-
uracil
Uracil
ME737017
1174
C00106
827
-
uridine 5'-monophosphate (UMP)
UMP
ME737018
6030
C00105
590
-
valerylcarnitine (C5)
CAR 5:0
ME737019
6426903
-
3112
-
valine
Valine
ME737020
6287
C00183
2479
-
valylglutamine
Val-Gln
ME737021
5253209
-
2295
-
valylglycine
Val-Gly
ME737022
136487
-
2444
-
valylleucine
Val-Leu
ME737023
352039
-
3138
-
xanthine
Xanthine
ME737024
1188
C00385
1032
-
xanthurenate
Xanthurenic acid
ME737025
5699
C02470
2236
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME737026
5288075
-
2006
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME737027
452110
-
2365
-
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME737028
-
-
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
ME737029
-
-
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
ME737030
-
-
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
ME737031
-
-
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
ME737032
-
-
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
ME737033
-
-
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
ME737034
-
-
2600
-
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
ME737035
11146967
-
2454
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME737036
10917802
-
1547
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME737037
-
-
1558
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME737038
9547058
-
2511
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME737039
-
-
1649
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*
PC 18:2/20:4
ME737040
-
-
1969
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME737041
129657
-
2147
-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*
PC 18:1/22:6
ME737042
-
-
2011
-
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*
PE 18:1/22:6
ME737043
-
-
2119
-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*
PC 18:1_18:2
ME737044
-
-
2165
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*
PE 18:1/18:2
ME737045
9546753
-
2270
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME737046
16081932
-
1540
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME737047
9547071
-
1554
-
1-palmitoleoyl-GPC (16:1)*
LPC 16:1/0:0
ME737048
24779461
-
1450
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME737049
10747814
-
2091
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME737050
9546800
-
2198
-
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...
-
ME737051
-
-
2199
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME737052
6441886
-
2023
-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*
PE 16:0/22:6
ME737053
9546799
-
2119
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME737054
5287971
-
2160
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME737055
9546747
-
2275
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME737056
6436017
-
2358
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME737057
5283496
-
2509
-
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)
PG 16:0/18:1
ME737058
5283509
-
3206
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME737059
-
-
2160
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME737060
-
-
2653
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME737061
86554
-
1525
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME737062
9547069
-
1544
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME737063
16219824
-
2300
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME737064
5289133
-
2424
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME737065
-
-
2197
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*
PE 18:0/22:6
ME737066
9546798
-
2317
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME737067
-
-
2380
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME737068
9546749
-
2522
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME737069
-
-
2644
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME737070
-
-
2858
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME737071
497299
-
1606
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME737072
9547068
-
1626
-
3-ketosphinganine
3-Ketosphinganine
ME737073
631
C02934
1400
-
4-cholesten-3-one
Cholestenone
ME737074
91477
C00599
2520
-
alpha-tocopherol
alpha-Tocopherol
ME737075
14985
C02477
2522
-
alpha-tocopherol acetate
Tocopherol acetate
ME737076
2117
C13202
2702
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME737077
-
-
1353
-
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME737078
-
-
3083
-
beta-sitosterol
Sitosterol
ME737079
222284
C01753
3054
-
campesterol
Campesterol
ME737080
173183
C01789
2873
-
carotene diol (1)
Carotene diol
ME737081
-
-
1720
-
ceramide (d18:1/14:0, d16:1/16:0)*
Cer 36:1;O2
ME737082
-
-
2477
-
ceramide (d18:1/17:0, d17:1/18:0)*
Cer 35:1;O2
ME737083
-
-
3055
-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*
Cer 38:1;O2
ME737084
-
-
3920
-
ceramide (d18:2/24:1, d18:1/24:2)*
Cer 42:3;O2
ME737085
-
-
3858
-
cholesterol
Cholesterol
ME737086
11025495
C00187
2707
-
D-urobilin
D-Urobilin
ME737087
6276321
C05795
935
-
delta-tocopherol
delta-Tocopherol
ME737088
92094
C14151
2259
-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*
DG 34:3
ME737089
-
-
2733
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)*
CAR 20:3
ME737090
-
-
1392
-
eicosanoylsphingosine (d20:1)*
-
ME737091
-
-
1443
-
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME737092
-
-
1484
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME737093
-
-
2384
-
heme
Heme
ME737094
26945
C00032
1124
-
heptadecasphingosine (d17:1)
C17 Sphingosine
ME737095
5283557
-
1377
-
hexadecasphinganine (d16:0)*
C16 Sphinganine
ME737096
656816
C13915
1300
-
hexadecasphingosine (d16:1)*
C16 Sphingosine
ME737097
-
-
1289
-
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**
-
ME737098
-
-
2056
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME737099
-
-
3437
-
linolenoylcarnitine (C18:3)*
CAR 18:3
ME737100
-
-
1310
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*
DG 18:2_20:4
ME737101
-
-
2590
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*
DG 18:2_20:4
ME737102
-
-
2650
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]...
DG 18:2_22:6
ME737103
-
-
2450
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]...
DG 18:2_22:6
ME737104
-
-
2500
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*
DG 18:2_18:3
ME737105
-
-
2426
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*
DG 18:2_18:3
ME737106
-
-
2478
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME737107
-
-
2720
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*
DG 18:2_18:2
ME737108
-
-
2790
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME737109
6450015
-
1430
-
margaroylcarnitine (C17)*
CAR 17:0
ME737110
-
-
1424
-
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...
-
ME737111
-
-
2692
-
N-palmitoyl-phytosphingosine (t18:0/16:0)
Cer 18:0;O3/16:0
ME737112
10506988
-
2632
-
N-palmitoyl-sphingadienine (d18:2/16:0)*
Cer 18:2;O2/16:0
ME737113
-
-
2490
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME737114
5283572
-
3090
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME737115
5283564
-
2893
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME737116
5283565
-
3392
-
oleoyl ethanolamide
Oleoyl-EA
ME737117
5283454
-
1661
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*
DG 18:1_20:4
ME737118
-
-
2907
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*
DG 18:1_20:4
ME737119
-
-
2990
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME737120
-
-
3115
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME737121
-
-
3223
-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*
DG 18:1_18:1
ME737122
-
-
3695
-
oleoylcarnitine (C18:1)
CAR 18:1
ME737123
6441392
-
1423
-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*
DG 16:1_18:2
ME737124
-
-
2664
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME737125
71464547
-
1357
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME737126
9939965
-
2290
-
palmitoyl ethanolamide
Palmitoyl-EA
ME737127
4671
C16512
1643
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME737128
9939941
-
2168
-
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*
DG 16:0_18:3
ME737129
-
-
2834
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*
DG 16:0_18:2
ME737130
9543695
-
3080
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*
DG 16:0_18:2
ME737131
-
-
3197
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*
DG 16:0_18:1
ME737132
-
C13861
3695
-
palmitoylcarnitine (C16)
CAR 16:0
ME737133
461
C02990
1425
-
phytosphingosine
Phytosphingosine
ME737134
122121
C12144
1367
-
protoporphyrin IX
Protoporphyrin
ME737135
4971
C02191
1417
-
spermine
Spermine
ME737136
1103
C00750
758
-
sphingadienine
Sphingadienine
ME737137
6449795
-
1350
-
sphinganine
Sphinganine
ME737138
3126
C00836
1413
-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...
SM 33:1;O2
ME737139
-
-
2082
-
sphingomyelin (d18:0/18:0, d19:0/17:0)*
SM 36:0;O2
ME737140
-
-
2362
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME737141
11433862
-
1998
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME737142
-
-
2312
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME737143
6443882
-
2167
-
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME737144
-
-
2685
-
sphingomyelin (d18:1/20:1, d18:2/20:0)*
SM 38:2;O2
ME737145
-
-
2383
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...
SM 40:2;O2
ME737146
-
-
2666
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME737147
-
-
3033
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME737148
-
-
2002
-
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME737149
-
-
2635
-
sphingosine
Sphingosine
ME737150
5353955
C00319
1393
-
stearoyl ethanolamide
Stearoyl-EA
ME737151
27902
-
1787
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME737152
6453725
C00550
2400
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*
DG 18:0_20:4
ME737153
-
-
3522
-
stearoylcarnitine (C18)
CAR 18:0
ME737154
6426855
-
1485
-
stigmastadienone
Spinasterone
ME737155
6442194
-
2688
-
stigmasterol
Stigmasterol
ME737156
5280794
C05442
2875
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
(12 or 13)-methylmyristate (a15:0 or i15:0)
Isopentadecylic acid
ME737157
151014
-
5499
-
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME737158
17903417
-
5695
-
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME737159
3083779
-
5993
-
(3'-5')-adenylyladenosine*
ApA
ME737160
94231
-
2173
-
(3'-5')-adenylylcytidine
ApC
ME737161
10875494
-
1920
-
(3'-5')-adenylylguanosine*
ApG
ME737162
444337
-
1980
-
(3'-5')-adenylyluridine
ApU
ME737163
112074
-
2002
-
(3'-5')-cytidylylcytidine*
CpC
ME737164
94237
-
1472
-
(3'-5')-cytidylylguanosine
CpG
ME737165
65101
-
1537
-
(3'-5')-cytidylyluridine*
CpU
ME737166
-
-
1522
-
(3'-5')-guanylylcytidine
GpC
ME737167
107595
-
1670
-
(3'-5')-guanylyluridine
GpU
ME737168
-
-
1772
-
(3'-5')-uridylylcytidine*
UpC
ME737169
-
-
1591
-
(3'-5')-uridylylguanosine
UpG
ME737170
107394
-
1637
-
(3'-5')-uridylyluridine
UpU
ME737171
102258
-
1688
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME737172
64960
C07326
802
-
1-arachidonoyl-GPC (20:4n6)*
LPC 20:4/0:0
ME737173
-
C05208
6074
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME737174
42607465
-
5874
-
1-arachidonoyl-GPI (20:4)*
LPI 20:4/0:0
ME737175
-
-
5482
-
1-arachidonylglycerol (20:4)
MG 20:4
ME737176
5282281
C13857
6250
-
1-carboxyethylisoleucine
1-Carboxyethylisoleucine
ME737177
-
-
2628
-
1-carboxyethylleucine
1-Carboxyethylleucine
ME737178
-
-
2663
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME737179
-
-
2844
-
1-carboxyethyltyrosine
1-Carboxyethyltyrosine
ME737180
-
-
1846
-
1-carboxyethylvaline
1-Carboxyethylvaline
ME737181
-
-
2008
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME737182
-
-
6400
-
1-dihomo-linoleoylglycerol (20:2)
MG 20:2
ME737183
-
-
6800
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME737184
-
-
6150
-
1-heptadecenoylglycerol (17:1)*
MG 17:1/0:0/0:0
ME737185
-
-
6390
-
1-linolenoylglycerol (18:3)
MG 18:3
ME737186
53480978
-
6214
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME737187
-
-
5483
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME737188
11988421
C04100
6160
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME737189
52925130
-
5900
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME737190
-
-
5516
-
1-linoleoyl-GPI (18:2)*
LPI 18:2/0:0
ME737191
-
-
5494
-
1-linoleoylglycerol (18:2)
MG 18:2
ME737192
5283469
-
6477
-
1-margaroylglycerol (17:0)
MG 17:0
ME737193
107036
-
6571
-
1-meadoylglycerol (20:3n9)*
MG 20:3/0:0/0:0
ME737194
-
-
6450
-
1-methyl-beta-carboline-3-carboxylic acid
-
ME737195
5406157
-
3190
-
1-myristoylglycerol (14:0)
MG 16:3
ME737196
79050
C01885
6353.3
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME737197
-
-
5610
-
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME737198
-
-
5599
-
1-oleoyl-GPS (18:1)
LPS 18:1/0:0
ME737199
9547099
-
5607
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME737200
5283468
-
6650
-
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME737201
-
-
6094
-
1-palmitoyl-galactosylglycerol (16:0)*
1-Palmitoyl-galactosylglycerol
ME737202
10413348
-
6161
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME737203
6419701
C04036
5600
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME737204
3300276
-
5570
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME737205
-
-
5564
-
1-palmitoyl-GPS (16:0)*
LPS 16:0/0:0
ME737206
9547100
-
5572
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME737207
14900
-
6550
-
1-pentadecanoylglycerol (15:0)
MG 15:0
ME737208
190750
-
6200
-
1-stearoyl-GPA (18:0)
LPA 18:0/0:0
ME737209
89567
-
5829
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME737210
-
-
5816
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME737211
-
-
5794
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME737212
9547101
-
5800
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME737213
5312435
-
5555
-
10-hydroxystearate
Rosilic acid
ME737214
9561835
-
5370
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME737215
5312513
-
5780
-
12,13-DiHOME
12,13-DiHOME
ME737216
10236635
C14829
5137
-
12-dehydrocholate
12-Ketochenodeoxycholic acid
ME737217
94235
-
4871
-
12-HETE
12-HETE
ME737218
5312983
-
5326
-
12-ketolithocholate
12-Ketolithocholic acid
ME737219
3080612
-
5130
-
13-HODE + 9-HODE
HODE
ME737220
43013
-
5275
-
16-hydroxypalmitate
Juniperic acid
ME737221
10466
C18218
5236.2
-
18-methylnonadecanoate (i20:0)
Isoarachidic acid
ME737222
4383090
-
6170
-
2'-deoxyguanosine
Deoxyguanosine
ME737223
187790
C00330
1700
-
2'-deoxyinosine
Deoxyinosine
ME737224
65058
C05512
1688
-
2'-deoxyuridine
Deoxyuridine
ME737225
13712
C00526
1586
-
2'-O-methyluridine
2'-O-Methyluridine
ME737226
102212
-
1831
-
2-arachidonoylglycerol (20:4)
MG 20:4
ME737227
5282280
C13856
6170
-
2-dihomo-linoleoylglycerol (20:2)*
-
ME737228
-
-
6700
-
2-heptadecenoylglycerol (17:1)*
MG 0:0/17:1/0:0
ME737229
-
-
6284
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME737230
164623
-
1800
-
2-hydroxyarachidate*
2-Hydroxyeicosanoic acid
ME737231
5225199
-
5990
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME737232
193484
-
6384
-
2-hydroxymyristate
2-Hydroxymyristic acid
ME737233
1563
C13790
5364
-
2-hydroxynervonate*
Hydroxynervonic acid
ME737234
5312783
-
6345
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME737235
92836
-
5511.2
-
2-hydroxysebacate
2-Hydroxy-decanedioic acid
ME737236
128458
-
1324
-
2-hydroxystearate
2-Hydroxystearic acid
ME737237
69417
C03045
5695
-
2-linoleoylglycerol (18:2)
MG 18:2
ME737238
5365676
-
6250
-
2-methylcitrate/homocitrate
Homocitric acid
ME737239
-
-
575
-
2-myristoylglycerol (14:0)
MG 0:0/14:0/0:0
ME737240
137938
-
6230
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME737241
5319879
-
6500
-
2-oxindole-3-acetate
2-Oxindole-3-acetate
ME737242
3080590
-
2076
-
2-palmitoleoylglycerol (16:1)*
MG 16:1
ME737243
-
-
6016
-
2-palmitoyl-galactosylglycerol (16:0)*
-
ME737244
-
-
6060
-
2-palmitoyl-GPC (16:0)*
LPC 0:0/16:0
ME737245
15061532
-
6215
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME737246
123409
-
6400
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME737247
-
-
6350
-
3,4-methylene heptanoylglycine
-
ME737248
-
-
3818
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME737249
91
C11457
1980
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME737250
9378
C03672
1379
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME737251
10394
C01744
1670
-
3-dehydrocholate
3-Dehydrocholic acid
ME737252
159655
-
5050
-
3-dehydrodeoxycholate
3-Ketodeoxycholic acid
ME737253
160738
-
5235
-
3-deoxyoctulosonate
-
ME737254
4636210
-
654.9
-
3-hydroxybehenate*
3-Hydroxy behenic acid
ME737255
5282921
-
6290
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME737256
151492
-
1725
-
3-hydroxymargarate
-
ME737257
93220
-
5577
-
3-hydroxymargaroylglycine
-
ME737258
10545348
-
5555
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME737259
26613
-
3446
-
3-hydroxypalmitate
3-Hydroxyhexadecanoic acid
ME737260
301590
-
5476
-
3-hydroxystearate
3-Hydroxystearic acid
ME737261
5282907
-
5674
-
3-indoleglyoxylic acid
-
ME737262
73863
-
2140
-
3-indoxyl sulfate
Indoxyl sulfate
ME737263
10258
-
2222.2
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME737264
47
C00671
2064.2
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME737265
107
C05629
2860
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME737266
92997
-
5205
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME737267
165511
C17333
5398
-
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME737268
135
C00156
820
-
4-hydroxycinnamate
cis-p-Coumaric acid
ME737269
637542
C00811
1457
-
4-hydroxymandelate
4-Hydroxymandelic acid
ME737270
328
C03198
772.7
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME737271
127
C00642
1361
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME737272
979
C01179
1690
-
4-methyl-2-oxopentanoate
Ketoleucine
ME737273
70
C00233
2170
-
4-methylthio-2-oxobutanoate
2-Oxo-4-methylthiobutanoic acid
ME737274
473
C01180
1635
-
4-thiouracil
4-Thiouracil
ME737275
2734394
-
1345
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME737276
94312
-
1119
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME737277
5312378
-
5224
-
5-methyluridine (ribothymidine)
Ribothymidine
ME737278
445408
-
1778.1
-
5-oxoproline
Pyroglutamic acid
ME737279
7405
C01879
738.5
-
6-beta-hydroxylithocholate
Murideoxycholic acid
ME737280
5283821
C15515
4830
-
6-oxolithocholate
6-Ketolithocholic acid
ME737281
164960
-
5033
-
7,12-diketolithocholate
7,12-Diketolithocholic acid
ME737282
3080560
-
4215
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME737283
3081085
C17337
5288.1
-
7-ketodeoxycholate
7-Ketodeoxycholic acid
ME737284
188292
-
4821
-
9,10-DiHOME
9,10-DiHOME
ME737285
9966640
C14828
5180
-
9,10-DiHOME sulfate
-
ME737286
-
-
4565
-
aconitate [cis or trans]
cis-Aconitic acid
ME737287
-
-
580
-
adrenate (22:4n6)
Adrenic acid
ME737288
5497181
C16527
5678
-
alpha-muricholate
alpha-Muricholic acid
ME737289
3083761
C17647
4765
-
arachidate (20:0)
Arachidic acid
ME737290
10467
C06425
6240
-
arachidonate (20:4n6)
Arachidonic acid
ME737291
444899
C00219
5535
-
azelate (C9-DC)
Azelaic acid
ME737292
2266
C08261
1276
-
benzoate
Benzoic acid
ME737293
243
C00180
1750
-
beta-muricholate
beta-Muricholic acid
ME737294
5283853
C17726
4794
-
biopterin
Biopterin
ME737295
445040
C06313
1398
-
branched chain 14:0 dicarboxylic acid**
-
ME737296
-
-
3849
-
butyrate (4:0)
Butyric acid
ME737297
264
C00246
1062
-
caprate (10:0)
Capric acid
ME737298
2969
C01571
5090.7
-
caproate (6:0)
Caproic acid
ME737299
8892
C01585
2713.7
-
caprylate (8:0)
Caprylic acid
ME737300
379
C06423
4362
-
chenodeoxycholate
Chenodeoxycholic acid
ME737301
10133
C02528
5264
-
chenodeoxycholic acid sulfate (1)
Chenodeoxycholic acid sulfate
ME737302
-
-
4531
-
chenodeoxycholic acid sulfate (3)
Chenodeoxycholic acid sulfate
ME737303
-
-
4940
-
cholate
Cholic acid
ME737304
221493
C00695
5165
-
cholate sulfate
-
ME737305
-
-
4557
-
cinnamoylglycine
Cinnamoylglycine
ME737306
709625
-
3127
-
cis-4-decenoate (10:1n6)*
4Z-Decenoic acid
ME737307
5312351
-
4890
-
citrate
Citric acid
ME737308
311
C00158
582
-
cysteine s-sulfate
Cysteine-S-sulfate
ME737309
115015
C05824
640.9
-
daidzein
Daidzein
ME737310
5281708
C10208
3566
-
dehydrolithocholate
Dehydrolithocholic acid
ME737311
159623
-
5360
-
deoxycholate
Deoxycholic acid
ME737312
222528
C04483
5294
-
digalactosylglycerol*
Galactosylglycerol
ME737313
-
-
781
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME737314
6439848
C16525
5730
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME737315
5280581
C03242
5596
-
dihydrocaffeate
3,4-Dihydroxyhydrocinnamic acid
ME737316
348154
C10447
1430
-
dihydroferulate
Dihydroferulic acid
ME737317
14340
-
1928
-
DIMBOA
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
ME737318
2358
C04720
2165
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME737319
5282807
C16533
6034
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME737320
445580
C06429
5525
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME737321
6441454
C16513
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME737322
6441454
C16513
5624.5
-
docosatrienoate (22:3n6)*
10Z,13Z,16Z-Docosatrienoic acid
ME737323
-
-
5850
-
dodecanedioate (C12-DC)
Dodecanedioic acid
ME737324
12736
C02678
2990
-
dodecenedioate (C12:1-DC)*
Traumatic acid
ME737325
-
-
2700
-
eicosanedioate (C20-DC)
Eicosanedioic acid
ME737326
75502
-
5200.9
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME737327
446284
C06428
5450
-
eicosenoate (20:1)
cis-Gondoic acid
ME737328
5282768
C16526
5950
-
enterodiol
Enterodiol
ME737329
123725
-
4327
-
enterolactone
Enterolactone
ME737330
10685477
-
4515
-
erucate (22:1n9)
cis-Erucic acid
ME737331
5281116
C08316
6355.6
-
erythrose
Erythrose
ME737332
94176
C01796
780
-
ferulate
trans-Ferulic acid
ME737333
445858
C01494
1755
-
flavin adenine dinucleotide (FAD)
FAD
ME737334
643975
C00016
2425
-
flavin mononucleotide (FMN)
FMN
ME737335
710
C00061
2390
-
gamma-CEHC
gamma-CEHC
ME737336
133098
-
3843
-
genistein
Genistein
ME737337
5280961
C06563
3754
-
glycerol
Glycerol
ME737338
753
C00116
758
-
glyco-beta-muricholate**
Gly-betaMCA
ME737339
-
-
4762
-
glycocholate sulfate
-
ME737340
-
-
4560
-
glycodeoxycholate
Glycodeoxycholic acid
ME737341
3035026
C05464
5281
-
guanosine-2',3'-cyclic monophosphate
2',3' cyclic GMP
ME737342
92823
C06194
1480
-
heneicosapentaenoate (21:5n3)
6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid
ME737343
11998573
-
5514
-
heptadecatrienoate (17:3)*
Heptadecatrienoic acid
ME737344
16061034
C16344
5390
-
heptanoate (7:0)
Heptylic acid
ME737345
8094
C17714
3670
-
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME737346
-
-
5398
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME737347
10459
C19615
4615
-
hexadecatrienoate (16:3n3)
7,10,13-Hexadecatrienoic acid
ME737348
5312428
-
5330
-
hexadecenedioate (C16:1-DC)*
-
ME737349
-
-
4380
-
hexanoylglycine
Hexanoylglycine
ME737350
99463
-
2900
-
hippurate
Hippuric acid
ME737351
464
C01586
2106.9
-
histidine
Histidine
ME737352
6274
C00135
755.9
-
hydroxy-undecanedioate (OH-C11:0-DC)*
-
ME737353
-
-
1482
-
hyocholate
Hyocholic acid
ME737354
92805
C17649
5046
-
I-urobilinogen
Mesobilirubinogen
ME737355
26818
C05790
4190
-
indole-3-carboxylate
Indole-3-carboxylic acid
ME737356
69867
C19837
1710
-
indoleacetate
Indoleacetic acid
ME737357
802
C00954
2200
-
indolelactate
Indolelactic acid
ME737358
92904
C02043
2286
-
isohyodeoxycholate
Isohyodeoxycholic acid
ME737359
5283822
-
4980
-
isoleucylglycine
Ile-Gly
ME737360
342532
-
1992
-
isovalerate (i5:0)
Isovaleric acid
ME737361
10430
C08262
1564
-
isovalerylglycine
Isovalerylglycine
ME737362
546304
-
1950
-
kynurenate
Kynurenic acid
ME737363
3845
C01717
2224
-
L-urobilin
L-Urobilin
ME737364
5280818
C05793
4624
-
lactobacillic acid
Lactobacillic acid
ME737365
10417
-
5822
-
laurate (12:0)
Lauric acid
ME737366
3893
C02679
5300
-
linoleate (18:2n6)
Linoleic acid
ME737367
5280450
C01595
5535
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME737368
5280934
C06426
5450
-
linoleoyl ethanolamide
Linoleoyl-EA
ME737369
5283446
-
6150
-
lithocholate
Lithocholic acid
ME737370
9903
C03990
5372
-
malate
Malic acid
ME737371
525
C00149
615.6
-
maltotriose
Maltotriose
ME737372
439586
C01835
812
-
margarate (17:0)
Margaric acid
ME737373
10465
-
5731
-
mead acid (20:3n9)
ETrE(5Z,8Z,11Z)
ME737374
5312531
-
5650
-
myristate (14:0)
Myristic acid
ME737375
11005
C06424
5440
-
myristoleate (14:1n5)
Myristoleic acid
ME737376
5281119
C08322
5346.9
-
N-acetyl-beta-glucosaminylamine
N-Acetyl-beta-glucosaminylamine
ME737377
439454
C01239
759
-
N-acetylisoleucine
N-Acetylisoleucine
ME737378
306109
-
2325
-
N-acetylleucine
N-Acetylleucine
ME737379
70912
C02710
2400
-
N-acetylmethionine
N-Acetylmethionine
ME737380
448580
C02712
1787
-
N-acetylmuramate
N-Acetylmuramic acid
ME737381
5462244
C02713
860
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME737382
74839
C03519
2597
-
N-acetylsphingosine
Cer 18:1;O2/2:0
ME737383
5497136
C00195
6000
-
N-acetyltaurine
N-Acetyltaurine
ME737384
159864
-
800
-
N-acetylthreonine
N-Acetylthreonine
ME737385
152204
-
821.6
-
N-acetyltyrosine
N-Acetyltyrosine
ME737386
68310
-
1680
-
N-acetylvaline
N-Acetylvaline
ME737387
66789
-
1704
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME737388
9920500
-
858
-
N-formylmethionine
N-Formylmethionine
ME737389
439750
C03145
1543.8
-
N-formylphenylalanine
N-Formylphenylalanine
ME737390
759256
-
2360
-
N-linoleoyltaurine*
NA-Taurine 18:2(9Z,12Z)
ME737391
-
-
5505
-
N-oleoyltaurine
NA-Taurine 18:1(9Z)
ME737392
6437033
-
5610
-
N-palmitoylglycine
N-Palmitoyl glycine
ME737393
151008
-
5580
-
N-stearoyltaurine
NA-Taurine 18:0
ME737394
168274
-
5782
-
N2,N6-diacetyllysine
N,N'-Diacetyl-lysine
ME737395
91827
-
1604
-
N2-acetyllysine
N(2)-Acetyllysine
ME737396
92907
C12989
828.3
-
N6-acetyllysine
N6-Acetyllysine
ME737397
92832
C02727
1059
-
nisinate (24:6n3)
THA
ME737398
11792612
-
5657
-
nonadecanoate (19:0)
Nonadecenoic acid
ME737399
12591
C16535
6068
-
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME737400
-
-
4676
-
octadecanedioate (C18-DC)
Octadecanedioic acid
ME737401
70095
-
5043
-
octadecenedioate (C18:1-DC)*
-
ME737402
-
-
4875
-
oleate/vaccenate (18:1)
Oleic acid
ME737403
-
-
5655
-
p-cresol glucuronide*
P-Cresol glucuronide
ME737404
154035
-
2420
-
p-cresol sulfate
p-Cresol sulfate
ME737405
4615423
-
2890
-
p-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME737406
126
C00633
2040
-
palmitate (16:0)
Palmitic acid
ME737407
985
C00249
5618
-
palmitoleate (16:1n7)
Palmitoleic acid
ME737408
445638
C08362
5475
-
pantethine
-
ME737409
452306
C12661
3590
-
pentadecanoate (15:0)
Pentadecylic acid
ME737410
13849
C16537
5521
-
phenol sulfate
Phenyl hydrogen sulfate
ME737411
74426
C02180
2156
-
phenylacetate
Phenyl acetate
ME737412
999
C07086
2150
-
phenylacetylglycine
Phenylacetylglycine
ME737413
68144
C05598
2375
-
phenyllactate (PLA)
Phenyllactic acid
ME737414
3848
C05607
2208
-
phenylpyruvate
Phenylpyruvic acid
ME737415
997
C00166
2515
-
prostaglandin F2alpha
PGF2alpha
ME737416
5280363
C00639
4658
-
pseudouridine
Pseudouridine
ME737417
15047
C02067
1100
-
pyridoxate
4-Pyridoxic acid
ME737418
6723
C00847
2185
-
sebacate (C10-DC)
Sebacic acid
ME737419
5192
C08277
1788
-
stearate (18:0)
Stearic acid
ME737420
5281
C01530
5872
-
stearidonate (18:4n3)
Stearidonic acid
ME737421
5312508
C16300
5395
-
STVLT
-
ME737422
-
-
2692
-
sulfate*
Sulfate
ME737423
1118
C00059
616
-
tartarate
Tartaric acid
ME737424
444305
C00898
615.3
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME737425
45
C02287
610
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME737426
168408
-
4774
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME737427
387316
C05465
5250
-
taurocholate
Taurocholic acid
ME737428
6675
C05122
5150
-
taurodeoxycholate
Taurodeoxycholic acid
ME737429
2733768
C05463
5257.4
-
taurohyocholate*
Taurohyocholic acid
ME737430
-
-
5000
-
taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME737431
119046
-
5073
-
taurolithocholate
Taurolithocholic acid
ME737432
10595
C02592
5345
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME737433
9848818
-
5025
-
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME737434
5312409
-
5292
-
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME737435
13185
-
3985
-
threonylphenylalanine
Thr-Phe
ME737436
4099799
-
2322
-
thymidine
Thymidine
ME737437
5789
C00214
1963.7
-
thymidine 5'-monophosphate
TMP
ME737438
9700
C00364
883
-
thymine
Thymine
ME737439
1135
C00178
1654
-
tricarballylate
1,2,3-Propanetricarboxylic acid
ME737440
14925
C19806
578
-
tyrosol
Tyrosol
ME737441
10393
C06044
2716
-
tyrosylglycine
Tyr-Gly
ME737442
259323
-
1635
-
undecanedioate (C11-DC)
Undecanedioic acid
ME737443
15816
-
2440
-
undecanoate (11:0)
Undecylic acid
ME737444
8180
C17715
5219.2
-
urate
Uric acid
ME737445
1175
C00366
757.1
-
uridine
Uridine
ME737446
6029
C00299
1457.6
-
ursocholate
Ursocholic acid
ME737447
-
-
4648
-
valerate (5:0)
Valeric acid
ME737448
7991
C00803
1718
-
valerylglycine
Valerylglycine
ME737449
4737557
-
2071
-
xanthosine
Xanthosine
ME737450
64959
C01762
1075
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME737451
677
C04039
1050
-
2-hydroxy-4-(methylthio)butanoic acid
2-Hydroxy-4-(methylthio)butanoic acid
ME737452
-
-
1065
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME737453
-
-
1258
-
2-hydroxyheptanoate*
2-Hydroxy enanthoic acid
ME737454
2750949
-
925
-
2-hydroxylignocerate*
Cerebronic acid
ME737455
102430
C17873
710
-
2-isopropylmalate
2-Isopropylmalic acid
ME737456
77
C02504
2605
-
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME737457
-
-
1543
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME737458
10964471
-
1660
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME737459
-
-
2204
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME737460
1662
C03761
2850
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME737461
441
C01089
1480
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME737462
87
C06001
1619
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME737463
3017884
-
2411
-
3-hydroxysuberate
3-Hydroxysuberic acid
ME737464
22328017
-
3000
-
3-hydroxyvalerate
3-Hydroxyvaleric acid
ME737465
107802
-
1241
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME737466
49
C00141
911
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME737467
3014237
-
1692
-
allantoin
Allantoin
ME737468
204
C02350
1672
-
allo-threonine
Allothreonine
ME737469
99289
C05519
2511.1
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME737470
99823
-
1052
-
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME737471
-
-
1916
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME737472
51
C00026
2700
-
arabinose
Arabinose
ME737473
66308
C00216
1804.5
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME737474
-
-
2700
-
ascorbic acid 3-sulfate*
-
ME737475
11425365
-
2025
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME737476
69362
-
1149.8
-
dimethylmalonic acid
Dimethylmalonic acid
ME737477
11686
-
2702
-
erythronate*
Erythronic acid
ME737478
2781043
-
2186
-
ethylmalonate
Ethylmalonic acid
ME737479
11756
-
2785
-
fructose
Fructose
ME737480
5984
C00095
2065
-
fucose
Fucose
ME737481
17106
C01018
1626.4
-
fumarate
Fumaric acid
ME737482
444972
C00122
3084
-
galactitol (dulcitol)
Galactitol
ME737483
11850
C01697
2360
-
galactonate
Galactonic acid
ME737484
128869
C00880
3085
-
gluconate
Gluconic acid
ME737485
10690
C00257
2922
-
glucose
Glucose
ME737486
5793
C00031
2342
-
glucose 6-phosphate
Glucose 6-phosphate
ME737487
5958
C00668
4537
-
glucuronate
Glucuronic acid
ME737488
444791
C00191
3233.3
-
glutarate (C5-DC)
Glutaric acid
ME737489
743
C00489
2900
-
glycerate
Glyceric acid
ME737490
752
C00258
2070.4
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME737491
439964
C03274
2430
-
homoserine
Homoserine
ME737492
12647
C00263
2875.8
-
inositol 1-phosphate (I1P)
Inositol 3-phosphate
ME737493
440194
C01177
4785
-
lactate
Lactic acid
ME737494
612
C00186
1468.8
-
maltose
Maltose
ME737495
10991489
C00208
3329.4
-
mannitol/sorbitol
Sorbitol
ME737496
5780
C00794
2320
-
mannose
Mannose
ME737497
18950
C00159
2200
-
methylmalonate (MMA)
Methylmalonic acid
ME737498
487
C02170
3078.4
-
methylsuccinate
Methylsuccinic acid
ME737499
10349
-
2800
-
mevalonate
Mevalonic acid
ME737500
439230
C02104
1462
-
myo-inositol
Myo-inositol
ME737501
892
C00137
3506.3
-
N-acetylalanine
N-Acetylalanine
ME737502
88064
C02847
1564.8
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME737503
65065
C01042
3143
-
N-carbamoylaspartate
N-Carbamoylaspartic acid
ME737504
93072
C00438
3800
-
N-formylanthranilic acid
Formylanthranilic acid
ME737505
101399
C05653
900
-
orotate
Orotic acid
ME737506
967
C00295
1638.1
-
orotidine
Orotidine
ME737507
92751
-
2250
-
pantoate
(R)-Pantoic acid
ME737508
439251
C00522
1100
-
pimelate (C7-DC)
Pimelic acid
ME737509
385
C02656
2745
-
pyruvate
Pyruvic acid
ME737510
1060
C00022
1083
-
quinate
Quinic acid
ME737511
6508
C00296
2432.9
-
ribonate
Ribonic acid
ME737512
5460677
C01685
2425
-
ribose
Ribose
ME737513
5779
C00121
1508.2
-
ribulonate/xylulonate/lyxonate*
-
ME737514
-
-
2350
-
ribulose/xylulose
-
ME737515
5289590
-
1400
-
salicylate
Salicylic acid
ME737516
338
C00805
802
-
sedoheptulose
Glucoheptulose
ME737517
5459879
-
2255
-
suberate (C8-DC)
Suberic acid
ME737518
10457
C08278
2577.6
-
succinate
Succinic acid
ME737519
1110
C00042
3149
-
succinimide
Succinimide
ME737520
11439
C07273
2155
-
succinoyltaurine
-
ME737521
-
-
2572
-
sucrose
Sucrose
ME737522
5988
C00089
3092
-
threonate
Threonic acid
ME737523
151152
C01620
2384
-
xylose
Xylose
ME737524
135191
C00181
1727
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel