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 ST002818 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
acetylcarnitine (C2)
CAR 2:0
ME729054
1
C02571
2282
-
cysteine sulfinic acid
3-Sulfino-alanine
ME729082
109
C00606
597
-
3-ureidopropionate
Ureidopropionic acid
ME729046
111
C02642
875
-
deoxycarnitine
3-Dehydroxycarnitine
ME729087
134
C01181
2052
-
adenine
Adenine
ME729055
190
C00147
2221
-
arginine
Arginine
ME729061
232
C00062
2825
-
beta-alanine
beta-Alanine
ME729065
239
C00099
1905
-
betaine
Betaine
ME729067
247
C00719
1064
-
choline
Choline
ME729072
305
C00114
1961
-
hydroxybupropion
Hydroxybupropion
ME729130
446
-
3479
-
1-methylnicotinamide
1-Methyl nicotinamide
ME729022
457
C02918
1940
-
S-methylmethionine
S-Methylmethionine
ME729206
458
C05319
2555
-
5-methylthioribose
5-Methylthioribose
ME729052
494
-
790
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME729047
500
C01035
2320
-
N-methylproline
N-Methyl-proline
ME729173
557
-
1335
-
creatine
Creatine
ME729076
586
C00300
1947
-
creatinine
Creatinine
ME729077
588
C00791
2055
-
cytosine
Cytosine
ME729086
597
C00380
2060
-
glutamate
Glutamic acid
ME729111
611
C00025
1500
-
dimethylglycine
Dimethylglycine
ME729090
673
C01026
1104
-
glycine
Glycine
ME729119
750
C00037
1375
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME729115
754
C00093
580
-
guanidinoacetate
Guanidoacetic acid
ME729121
763
C00581
1937
-
guanine
Guanine
ME729122
764
C00242
2032
-
imidazole lactate
Imidazolelactic acid
ME729133
793
C05568
2040
-
pipecolate
Pipecolic acid
ME729194
849
C00408
2200
-
nicotinamide
Niacinamide
ME729185
936
C00153
1942
-
5-hydroxylysine
5-Hydroxylysine
ME729050
1029
C16741
2790
-
pyridoxal
Pyridoxal
ME729199
1050
C00250
2343
-
phosphate
Phosphoric acid
ME729192
1061
C00009
576
-
sarcosine
Sarcosine
ME729207
1088
C00213
1280
-
spermidine
Spermidine
ME729210
1102
C00315
3355
-
spermine
Spermine
ME729211
1103
C00750
3350
-
taurine
Taurine
ME729215
1123
C00245
660
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME729225
1145
C01104
2100
-
urea
Urea
ME729230
1176
C00086
700
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME729203
1196
C04322
1528
-
isocitrate
Isocitric acid
ME729137
1198
C00311
773
-
3-methoxytyrosine
3-Methoxytyrosine
ME729043
1670
-
2555
-
atenolol
Atenolol
ME729064
2249
D00235
2668
-
caffeine
Caffeine
ME729070
2519
C07481
2106
-
lidocaine
Lidocaine
ME729146
3676
D00358
3250
-
lamotrigine
Lamotrigine
ME729141
3878
D00354
3379
-
metronidazole
Metronidazole
ME729152
4173
D00409
2046
-
serotonin
Serotonin
ME729209
5202
C00780
2550
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME729158
5255
C12270
1035
-
theobromine
Theobromine
ME729216
5429
C07480
1600
-
trazadone
Trazodone
ME729223
5533
C07156,D08626
3498
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME729224
5570
C01004
1388
-
hydroxyproline
Hydroxyproline
ME729221
5810
C01157
1064
-
cysteine
Cysteine
ME729080
5862
C00097
1475
-
alanine
Alanine
ME729058
5950
C00041
1700
-
serine
Serine
ME729208
5951
C00065
1239
-
aspartate
Aspartic acid
ME729063
5960
C00049
1165
-
glutamine
Glutamine
ME729113
5961
C00064
1291
-
lysine
Lysine
ME729147
5962
C00047
2850
-
tyrosine
Tyrosine
ME729229
6057
C00082
2430
-
AMP
AMP
ME729056
6083
C00020
1013
-
leucine
Leucine
ME729143
6106
-
2864
-
methionine
Methionine
ME729149
6137
C00073
2526
-
phenylalanine
Phenylalanine
ME729191
6140
C00079
2878
-
dimethyl sulfone
Dimethyl sulfone
ME729088
6213
C11142
832
-
ornithine
Ornithine
ME729189
6262
C00077
2800
-
asparagine
Asparagine
ME729062
6267
C00152
1225
-
valine
Valine
ME729231
6287
C00183
2479
-
threonine
Threonine
ME729218
6288
C00188
1514
-
tryptophan
Tryptophan
ME729227
6305
C00078
2986
-
isoleucine
Isoleucine
ME729138
6306
C00407
2800
-
trizma acetate
2-Amino-2-methylol-propane-1,3-diol
ME729226
6503
C07182
1884
-
homoarginine
Homoarginine
ME729125
9085
C01924
2882
-
citrulline
Citrulline
ME729073
9750
C00327
1520
-
3-formylindole
1H-Indole-3-carboxaldehyde
ME729037
10256
C08493
2736
-
carnitine
Carnitine
ME729071
10917
C00318
1978
-
7-methylguanine
7-Methylguanine
ME729053
11361
C02242
2175
-
2-pyrrolidinone
2-Pyrrolidinone
ME729033
12025
-
1262
-
2-piperidinone
2-Piperidinone
ME729032
12665
-
1675
-
1-methyladenosine
1-Methyladenosine
ME729175
27476
C02494
2120
-
tramadol
Tramadol
ME729220
33741
C07153
3288
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME729036
64956
C05145
2190
-
homocitrulline
Homocitrulline
ME729126
65072
C02427
1908
-
N1-methylinosine
1-Methylinosine
ME729176
65095
-
1430
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME729097
65254
-
2784
-
N-acetylarginine
N-Acetylarginine
ME729162
67427
C02562
2245
-
cystine
Cystine
ME729085
67678
C00491
2000
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME729112
68662
-
2170
-
1-methylurate
1-Methyluric acid
ME729023
69726
C16359
1461
-
methionine sulfone
Methionine sulfone
ME729150
69961
-
1250
-
imidazole propionate
Imidazole propanoate
ME729134
70630
-
2263
-
N-acetylglutamate
N-Acetylglutamic acid
ME729167
70914
C00624
1050
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME729117
71920
C00670
672
-
N-acetylhistidine
N-Acetylhistidine
ME729168
75619
C02997
2065
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME729019
75810
C05828
2064
-
leucylglycine
Leu-Gly
ME729145
79070
-
2778
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME729205
82142
-
900
-
alliin
Alliin
ME729059
87310
C08265
1470
-
1-methylhistidine
1-Methylhistidine
ME729021
92105
C01152
2755
-
2-acrylamidoglycolic acid
-
ME729026
92230
-
810
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME729101
92865
C05282
1775
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME729177
92919
-
2210
-
thioproline
Thioproline
ME729217
93176
-
1250
-
2-methylserine
2-Methylserine
ME729031
94309
C02115
1652
-
glycylvaline
Gly-Val
ME729120
97417
-
2734
-
hydroxyasparagine
Hydroxyasparagine
ME729129
97663
C03124
1149
-
S-allylcysteine
S-Allylcysteine
ME729204
98280
-
2690
-
lanthionine
Lanthionine
ME729142
98504
-
1730
-
N-acetylasparagine
N-Acetylasparagine
ME729163
99715
-
785
-
N6-methyladenosine
N6-Methyladenosine
ME729183
102175
-
2264
-
(2-butoxyethoxy)acetic acid
-
ME729015
106312
-
3177
-
propionylcarnitine (C3)
CAR 3:0
ME729198
107738
C03017
2590
-
hypotaurine
Hypotaurine
ME729132
107812
C00519
724
-
cysteine s-sulfate
Cysteine-S-sulfate
ME729081
115015
C05824
565
-
stachydrine
Stachydrine
ME729212
115244
C10172
1440
-
ethyl beta-glucopyranoside
-
ME729094
121667
-
1100
-
N-acetylputrescine
N-Acetylputrescine
ME729171
122356
C02714
2230
-
fructosyllysine
Fructosyllysine
ME729095
123708
-
2784
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME729182
123800
-
2500
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME729166
123826
C04540
1212
-
dimethylarginine (ADMA + SDMA)
Dimethylarginine
ME729089
123831
C03626
2850
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME729116
123874
C01233
659
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME729049
123986
-
2755
-
O-desmethylvenlafaxine
Desvenlafaxine
ME729188
125017
D07793
3253
-
ectoine
Ectoine
ME729091
126041
C06231
1980
-
3-methylglutarylcarnitine (2)
CAR DC5:0;3Me
ME729045
128145
-
2687
-
O-desmethyltramadol
O-Desmethyltramadol
ME729186
130829
-
3045
-
pyroglutamine*
Pyroglutamine
ME729200
134508
-
1900
-
proline
Proline
ME729196
145742
C00148
1603
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME729102
150914
C05283
1430
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME729025
150971
-
2411
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME729106
151023
-
2991
-
methionine sulfoxide
Methionine sulfoxide
ME729151
158980
C02989
1272
-
3-methylcytidine
3-Methylcytidine
ME729044
159649
-
2176
-
argininate*
Argininic acid
ME729060
160437
-
2150
-
kynurenine
Kynurenine
ME729140
161166
C00328
2739
-
betonicine
Betonicine
ME729068
164642
C08269
1012
-
N6-methyllysine
N(6)-Methyllysine
ME729184
164795
C02728
2831
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME729103
165527
-
1535
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME729136
168379
-
2810
-
N-acetyl-cadaverine
N-Acetylcadaverine
ME729159
189087
-
2385
-
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME729181
193344
C05545
2831
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME729028
227939
-
3160
-
leucylalanine
Leu-Ala
ME729144
259321
-
2801
-
N-acetylproline
N-Acetyl-proline
ME729170
322640
-
1695
-
cys-gly, oxidized
CYS-GLY, oxidized
ME729078
333293
-
2947
-
N-carbamoylalanine
N-Carbamoylalanine
ME729172
426409
-
950
-
ethyl alpha-glucopyranoside
-
ME729093
428040
-
1248
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME729051
439176
C00170
2752
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME729169
439197
C00270
660
-
cystathionine
Cystathionine
ME729079
439258
C02291
2270
-
2-aminobutyrate
2-Aminobutyric acid
ME729027
439691
C02261
2059
-
butyrylcarnitine (C4)
CAR 4:0
ME729069
439829
C02862
2860
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME729048
439902
C03079
1141
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME729099
440103
-
1986
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME729180
440120
C03793
2825
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME729174
440810
C05843
1260
-
homostachydrine*
(S)-Homostachydrine
ME729127
441447
C08283
1750
-
tryptophan betaine
Lenticin
ME729228
442106
C09213
2673
-
3-hydroxystachydrine*
3-Hydroxystachydrine
ME729042
442640
-
1049
-
trans-urocanate
Urocanic acid
ME729222
736715
C00785
2285
-
cotinine
Cotinine
ME729074
854019
-
2213
-
ranitidine
Ranitidine
ME729201
3001055
D00422
2910
-
ergothioneine
Ergothioneine
ME729092
3032311
C05570
850
-
ranitidine N-oxide*
-
ME729202
3033888
-
2926
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME729118
3081457
-
577
-
histidine betaine (hercynine)*
Hercynine
ME729124
3083620
-
2094
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME729083
4247235
-
2465
-
1-ribosyl-imidazoleacetate*
Imidazoleacetic acid riboside
ME729024
5117448
C05131
2006
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME729035
5200225
-
2065
-
3-(cystein-S-yl)acetaminophen*
3-(Cystein-S-yl)acetaminophen
ME729034
5233914
-
2420
-
N,N-dimethylalanine
N,N-Dimethylalanine
ME729156
5488191
-
1370
-
prolylglycine
Pro-Gly
ME729197
6426709
-
2136
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME729139
6426851
-
3085
-
hexanoylcarnitine (C6)
CAR 6:0
ME729123
6426853
-
3358
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME729029
6426901
-
3050
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME729020
6451814
-
1989
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME729107
7009567
-
2640
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME729110
7015683
-
2700
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME729098
7015685
-
2725
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME729104
7017195
-
2740
-
cotinine N-oxide
Cotinine N-oxide
ME729075
9815514
-
1377
-
N-acetylcarnosine
N-Acetylcarnosine
ME729164
9903482
-
2141
-
hydroxycotinine
trans-3-Hydroxycotinine
ME729131
10219774
-
2030
-
prolylhydroxyproline
Pro-hydroxyPro
ME729195
11673055
-
2128
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME729105
14253342
-
2940
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME729153
14274897
-
2186
-
malonylcarnitine
CAR DC3:0
ME729148
22833583
-
2086
-
tiglyl carnitine (C5)
CAR 4:1;2Me
ME729219
22833596
-
2962
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME729017
53481617
-
2400
-
2-methylmalonylcarnitine (C4-DC)
CAR DC3:0;2Me
ME729030
53481628
-
2440
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME729157
53859791
-
2100
-
adipoylcarnitine (C6-DC)
CAR DC5:0
ME729057
71296139
-
2570
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME729214
71464481
-
2291
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME729114
71464488
-
2393
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME729109
76078708
-
1750
-
phenylacetylcarnitine
-
ME729190
101724840
-
3092
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME729160
131802901
-
2305
-
3-hydroxybutyroylglycine
-
ME729038
-
-
978
-
3-hydroxyhexanoylcarnitine (1)
CAR 6:0;3OH
ME729039
-
-
2918
-
3-hydroxyoctanoylcarnitine (1)
CAR 8:0;3OH
ME729040
-
-
3445
-
3-hydroxyoctanoylcarnitine (2)
CAR 8:0;3OH
ME729041
-
-
3497
-
beta-hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME729066
-
-
2584
-
cysteinylglycine disulfide*
Cysteinylglycine disulfide
ME729084
-
-
2547
-
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME729096
-
-
2380
-
gamma-glutamylcitrulline*
-
ME729100
-
-
1644
-
gamma-glutamylserine
gamma-Glu-Ser
ME729108
-
-
1351
-
hydroxy-N6,N6,N6-trimethyllysine*
-
ME729128
-
-
2759
-
indoleacetoylcarnitine*
-
ME729135
-
-
3114
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME729016
-
-
3080
-
N2-acetyl,N6-methyllysine
N2-Acetyl,N6-methyllysine
ME729179
-
-
2168
-
N2-acetyl,N6,N6-dimethyllysine
N2-Acetyl,N6,N6-dimethyllysine
ME729178
-
-
2172
-
N-acetylalliin
N-Acetylalliin
ME729161
-
-
1348
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME729165
-
-
715
-
N,N-dimethyl-5-aminovalerate
N,N-Dimethyl-5-aminovaleric acid
ME729155
-
-
2290
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME729154
-
-
2470
-
O-desmethyltramadol glucuronide
-
ME729187
-
-
2741
-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME729193
-
-
2773
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME729018
-
-
2340
-
suberoylcarnitine (C8-DC)
CAR DC8:0
ME729213
-
-
2964
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
palmitoylcarnitine (C16)
CAR 16:0
ME729373
461
C02990
1425
-
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME729378
520
-
1431
-
cetirizine
Cetirizine
ME729312
2678
C07778
1052
-
sphinganine
Sphinganine
ME729377
3126
C00836
1413
-
fluoxetine
Fluoxetine
ME729325
3386
D00326
1025
-
venlafaxine
Venlafaxine
ME729412
5656
C07187
848
-
alpha-tocopherol
alpha-Tocopherol
ME729297
14985
C02477
2522
-
heme
Heme
ME729331
26945
C00032
1124
-
stearoyl ethanolamide
Stearoyl-EA
ME729406
27902
-
1787
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME729281
86554
-
1525
-
octanoylcarnitine (C8)
CAR 8:0
ME729360
123701
C02838
950
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME729259
129657
-
2250
-
citalopram/escitalopram
Escitalopram
ME729316
146570
D07913
908
-
palmitoylcholine
Palmitoylcholine
ME729374
151731
-
1482
-
retinol (Vitamin A)
Retinol
ME729376
445354
C00473
1636
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME729234
452110
-
2450
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME729293
497299
-
1606
-
piperine
Piperine
ME729375
638024
C03882
1168
-
bilirubin
Bilirubin
ME729305
5280352
C00486
1840
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME729277
5283496
-
2600
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME729405
5283560
C06124
1375
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME729353
5283564
-
2893
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME729355
5283565
-
3392
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME729352
5283572
-
3090
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME729273
5287971
-
2160
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME729232
5288075
-
2100
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME729284
5289133
-
2475
-
bilirubin (E,E)*
Bilirubin
ME729303
5315454
-
1045
-
biliverdin
Biliverdin
ME729306
5353439
C00500
1016
-
sphingosine
Sphingosine
ME729404
5353955
C00319
1393
-
bilirubin (E,Z or Z,E)*
Bilirubin
ME729304
5799469
-
1265
-
beta-cryptoxanthin
Cryptoxanthin
ME729302
6384256
-
2560
-
myristoylcarnitine (C14)
CAR 14:0
ME729349
6426854
-
1350
-
stearoylcarnitine (C18)
CAR 18:0
ME729408
6426855
-
1485
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME729276
6436017
-
2450
-
oleoylcarnitine (C18:1)
CAR 18:1
ME729365
6441392
-
1423
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME729271
6441886
-
2055
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME729386
6443882
-
2167
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME729344
6450015
-
1430
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME729407
6453725
C00550
2450
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME729274
9546747
-
2350
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME729289
9546749
-
2575
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*
PE 18:1/18:2
ME729262
9546753
-
2270
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*
PE 18:0/22:6
ME729287
9546798
-
2375
-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*
PE 16:0/22:6
ME729272
9546799
-
2160
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME729268
9546800
-
2250
-
1,2-dilinoleoyl-GPE (18:2/18:2)*
PE 18:2/18:2
ME729233
9546812
-
2150
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME729246
9547058
-
2550
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME729294
9547068
-
1626
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME729282
9547069
-
1544
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME729264
9547071
-
1554
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME729370
9939941
-
2168
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME729369
9939965
-
2290
-
decanoylcarnitine (C10)
CAR 10:0
ME729318
10245190
-
1130
-
laurylcarnitine (C12)
CAR 12:0
ME729334
10427569
-
1235
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME729267
10747814
-
2200
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME729244
10917802
-
1547
-
cholesterol
Cholesterol
ME729313
11025495
C00187
2707
-
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...
PC P-16:0/16:0 or PC O-16:1/16:0
ME729243
11146967
-
2550
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME729384
11433862
-
1998
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME729256
11988421
C04100
1465
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME729263
16081932
-
1540
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME729283
16219824
-
2400
-
1-palmitoleoyl-GPC* (16:1)*
LPC 16:1/0:0
ME729266
24779461
-
1450
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME729251
42607465
-
1470
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME729257
52925130
-
1482
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME729367
71464547
-
1357
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME729347
90659872
-
1316
-
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME729235
-
-
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
ME729236
-
-
2200
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME729237
-
-
2300
-
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
ME729238
-
-
2300
-
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
ME729239
-
-
2400
-
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
ME729240
-
-
2550
-
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
ME729241
-
-
2750
-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...
PC P-16:0/16:1 or PC O-16:1/16:1
ME729242
-
-
2218
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME729245
-
-
1558
-
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*
PE P-18:0/18:2 or PE O-18:1/18:2
ME729247
-
-
2750
-
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)
PE P-18:0/18:1 or PE O-18:1/18:1
ME729248
-
-
3100
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME729249
-
-
1649
-
1-arachidonoyl-GPC* (20:4)*
LPC 20:4/0:0
ME729250
-
C05208
1460
-
1-lignoceroyl-GPC (24:0)
LPC 24:0/0:0
ME729252
-
-
1907
-
1-linolenoyl-GPC (18:3)*
LPC 18:3
ME729253
-
-
1410
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*
PC 18:2/20:4
ME729254
-
-
2000
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*
PC 18:2/18:3
ME729255
-
-
1939
-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*
PC 14:0/20:4
ME729258
-
-
1950
-
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*
PE 18:1/20:4
ME729260
-
-
2200
-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*
PC 18:1/22:6
ME729261
-
-
2100
-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*
PC 16:1_18:3
ME729265
-
-
1900
-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*
PI 16:0/20:4
ME729269
-
-
2567
-
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...
-
ME729270
-
-
2285
-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)
PI 16:0/18:2
ME729275
-
-
2730
-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*
PI 16:0/18:1
ME729278
-
-
3140
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME729279
-
-
2200
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME729280
-
-
2750
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME729285
-
-
3000
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME729286
-
-
2300
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME729288
-
-
2450
-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)
PI 18:0/18:2
ME729290
-
-
3185
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME729291
-
-
2644
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME729292
-
-
2950
-
3-hydroxydecanoylcarnitine
CAR 10:0;3OH
ME729295
-
-
961
-
5-dodecenoylcarnitine (C12:1)
CAR 12:1(5)
ME729296
-
-
1135
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME729298
-
-
1353
-
arachidonoylcholine
Arachidonoylcholine
ME729299
-
-
1390
-
behenoyl dihydrosphingomyelin (d18:0/22:0)*
SM 18:0;O2/22:0
ME729300
-
-
3300
-
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME729301
-
-
3250
-
carotene diol (1)
Carotene diol
ME729307
-
-
1720
-
carotene diol (2)
Carotene diol
ME729308
-
-
1904
-
carotene diol (3)
Carotene diol
ME729309
-
-
1948
-
ceramide (d18:1/14:0, d16:1/16:0)*
Cer 36:1;O2
ME729310
-
-
2477
-
cerotoylcarnitine (C26)*
CAR 26:0
ME729311
-
-
1649
-
cis-3,4-methyleneheptanoylcarnitine
-
ME729314
-
-
845
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME729315
-
-
1057
-
De(carboxymethoxy) cetirizine acetic acid
-
ME729317
-
-
988
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)*
CAR 20:3
ME729320
-
-
1392
-
dihomo-linolenoyl-choline
-
ME729319
-
-
1424
-
dihomo-linoleoylcarnitine (C20:2)*
CAR 20:2
ME729321
-
-
1436
-
docosahexaenoylcholine
-
ME729322
-
-
1378
-
eicosapentaenoylcholine
-
ME729323
-
-
1343
-
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME729324
-
-
1484
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME729326
-
-
2384
-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*
HexCer 38:1;O2
ME729327
-
-
3414
-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*
HexCer 42:3;O2
ME729328
-
-
3380
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME729329
-
-
2623
-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
HexCer 18:1;O2/18:0
ME729330
-
-
3053
-
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))
-
ME729332
-
-
2056
-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)
LacCer 18:1;O2/16:0
ME729333
-
-
2527
-
lignoceroylcarnitine (C24)*
CAR 24:0
ME729336
-
-
1603
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME729335
-
-
3437
-
linolenoylcarnitine (C18:3)*
CAR 18:3
ME729337
-
-
1310
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*
DG 18:2_20:4
ME729338
-
-
2590
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*
DG 18:2_20:4
ME729339
-
-
2650
-
linoleoylcholine*
alpha-Linoleoylcholine
ME729345
-
-
1388
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]...
DG 18:2_22:6
ME729340
-
-
2500
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*
DG 18:2_18:3
ME729341
-
-
2478
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME729342
-
-
2720
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*
DG 18:2_18:2
ME729343
-
-
2790
-
margaroylcarnitine (C17)*
CAR 17:0
ME729346
-
-
1424
-
myristoyl dihydrosphingomyelin (d18:0/14:0)*
SM 18:0;O2/14:0
ME729348
-
-
2060
-
nervonoylcarnitine (C24:1)*
CAR 24:1
ME729356
-
-
1602
-
nonanoylcarnitine (C9)
CAR 9:0
ME729357
-
-
1010
-
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*
-
ME729350
-
-
2645
-
N-palmitoyl-sphingadienine (d18:2/16:0)*
Cer 18:2;O2/16:0
ME729351
-
-
2490
-
N-stearoyl-sphingadienine (d18:2/18:0)*
Cer 18:2;O2/18:0
ME729354
-
-
2846
-
octadecanedioylcarnitine (C18-DC)*
CAR DC18:0
ME729358
-
-
1227
-
octadecenedioylcarnitine (C18:1-DC)*
CAR DC18:1
ME729359
-
-
1180
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*
DG 18:1_20:4
ME729361
-
-
2907
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*
DG 18:1_20:4
ME729362
-
-
2990
-
oleoylcholine
Oleoylcholine
ME729366
-
-
1449
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME729363
-
-
3115
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME729364
-
-
3223
-
palmitoloelycholine
-
ME729368
-
-
1385
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*
DG 16:0_18:2
ME729371
-
-
3197
-
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...
EPC 18:1;O2/16:0
ME729372
-
-
2207
-
sphingomyelin (d17:1/14:0, d16:1/15:0)*
SM 31:1;O2
ME729379
-
-
1950
-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...
SM 33:1;O2
ME729380
-
-
2082
-
sphingomyelin (d17:2/16:0, d18:2/15:0)*
SM 33:2;O2
ME729381
-
-
1875
-
sphingomyelin (d18:0/18:0, d19:0/17:0)*
SM 36:0;O2
ME729382
-
-
2500
-
sphingomyelin (d18:0/20:0, d16:0/22:0)*
SM 38:0;O2
ME729383
-
-
2850
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME729385
-
-
2350
-
sphingomyelin (d18:1/19:0, d19:1/18:0)*
SM 37:1;O2
ME729387
-
-
2550
-
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME729388
-
-
2800
-
sphingomyelin (d18:1/20:1, d18:2/20:0)*
SM 38:2;O2
ME729389
-
-
2450
-
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)...
-
ME729390
-
-
2200
-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...
SM 39:1;O2
ME729391
-
-
3000
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...
SM 40:2;O2
ME729392
-
-
2775
-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...
SM 40:3;O2
ME729393
-
-
2350
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME729394
-
-
3200
-
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...
SM 43:1;O2
ME729395
-
-
3500
-
sphingomyelin (d18:2/14:0, d18:1/14:1)*
SM 32:2;O2
ME729396
-
-
1860
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME729397
-
-
2002
-
sphingomyelin (d18:2/18:1)*
SM 18:2;O2/18:1
ME729398
-
-
2025
-
sphingomyelin (d18:2/21:0, d16:2/23:0)*
SM 39:2;O2
ME729399
-
-
2500
-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...
SM 41:2;O2
ME729400
-
-
3000
-
sphingomyelin (d18:2/23:1)*
SM 18:2;O2/23:1
ME729401
-
-
2500
-
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME729402
-
-
2750
-
sphingomyelin (d18:2/24:2)*
SM 18:2;O2/24:2
ME729403
-
-
2400
-
stearoylcholine*
Stearoylcholine
ME729409
-
-
1520
-
tricosanoyl sphingomyelin (d18:1/23:0)*
SM 18:1;O2/23:0
ME729410
-
-
3350
-
undecenoylcarnitine (C11:1)
CAR 11:1
ME729411
-
-
1069
-
ximenoylcarnitine (C26:1)*
CAR 26:1
ME729413
-
-
1607
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME729869
45
C02287
610
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME729537
47
C00671
2064.2
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME729536
49
C00141
1465
-
4-methyl-2-oxopentanoate
Ketoleucine
ME729560
70
C00233
2170
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME729507
91
C11457
1980
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME729540
107
C05629
2860
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME729557
127
C00642
1361
-
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME729553
135
C00156
820
-
benzoate
Benzoic acid
ME729618
243
C00180
1750
-
butyrate/isobutyrate (4:0)
Butyric acid
ME729624
264
C00246
1062
-
citrate
Citric acid
ME729640
311
C00158
582
-
salicylate
Salicylic acid
ME729856
338
C00805
2195
-
caprylate (8:0)
Caprylic acid
ME729629
379
C06423
4362
-
hippurate
Hippuric acid
ME729732
464
C01586
2106.9
-
2-aminoadipate
alpha-Aminoadipic acid
ME729475
469
C00956
639.2
-
malate
Malic acid
ME729765
525
C00149
615.6
-
5,6-dihydrouracil
Dihydrouracil
ME729566
649
C00429
1120
-
glycerol
Glycerol
ME729704
753
C00116
758
-
hypoxanthine
Hypoxanthine
ME729741
790
C00262
1291.2
-
indoleacetate
Indoleacetic acid
ME729743
802
C00954
2200
-
3-(2-hydroxyphenyl)propionate
3-(2-Hydroxyphenyl)propanoic acid
ME729505
873
C01198
2530
-
oxalate (ethanedioate)
Oxalic acid
ME729815
971
C00209
603
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME729558
979
C01179
1690
-
palmitate (16:0)
Palmitic acid
ME729818
985
C00249
5618
-
phenylpyruvate
Phenylpyruvic acid
ME729834
997
C00166
2515
-
phenylacetate
Phenyl acetate
ME729829
999
C07086
2150
-
phosphoethanolamine (PE)
Phosphoethanolamine
ME729835
1015
C00346
638
-
uracil
Uracil
ME729894
1174
C00106
1086
-
urate
Uric acid
ME729895
1175
C00366
757.1
-
vanillylmandelate (VMA)
Vanillylmandelic acid
ME729903
1245
C05584
941
-
homovanillate (HVA)
Homovanillic acid
ME729735
1738
C05582
1649
-
5-hydroxydecanoate
5-Hydroxycapric acid
ME729570
1825
-
4080
-
4-acetamidophenol
Acetaminophen
ME729545
1983
C06804
2173.7
-
theophylline
Theophylline
ME729881
2153
C07130
2356.9
-
azelate (C9-DC)
Azelaic acid
ME729617
2266
C08261
1276
-
caprate (10:0)
Capric acid
ME729627
2969
C01571
5090.7
-
gabapentin
Gabapentin
ME729687
3446
D00332
2407.4
-
gentisate
Gentisic acid
ME729693
3469
C00628
1459.8
-
hydrochlorothiazide
Hydrochlorothiazide
ME729736
3639
C07041
2046
-
ibuprofen
Ibuprofen
ME729742
3672
D00126
4925
-
indolepropionate
3-Indolepropionic acid
ME729747
3744
-
2795
-
kynurenate
Kynurenic acid
ME729757
3845
C01717
2224
-
phenyllactate (PLA)
Phenyllactic acid
ME729833
3848
C05607
2208
-
laurate (12:0)
Lauric acid
ME729758
3893
C02679
5300
-
palmitoyl ethanolamide
Palmitoyl-EA
ME729820
4671
C16512
6300
-
pantoprazole
Pantoprazole
ME729822
4679
C11806
4398
-
paraxanthine
Paraxanthine
ME729824
4687
C13747
2279
-
saccharin
Saccharin
ME729855
5143
D01085
2000
-
sebacate (C10-DC)
Sebacic acid
ME729858
5192
C08277
1788
-
stearate (18:0)
Stearic acid
ME729859
5281
C01530
5872
-
sulfamethoxazole
Sulfamethoxazole
ME729862
5329
D00285,C07315,D00447
1941
-
trimethoprim
Trimethoprim
ME729890
5578
C01965,D00145
3637
-
valsartan
Valsartan
ME729899
5650
-
4228
-
xanthurenate
Xanthurenic acid
ME729904
5699
C02470
1476
-
corticosterone
Corticosterone
ME729641
5753
C02140
5040
-
cortisol
Cortisol
ME729642
5754
C00735
4710
-
thyroxine
Thyroxine
ME729885
5819
C01829
4808
-
inosine
Inosine
ME729749
6021
C00294
1602.1
-
uridine
Uridine
ME729896
6029
C00299
1457.6
-
cytidine
Cytidine
ME729645
6175
C00475
1325
-
histidine
Histidine
ME729733
6274
C00135
755.9
-
pantothenate (Vitamin B5)
Pantothenic acid
ME729823
6613
C00864
1498.7
-
taurocholate
Taurocholic acid
ME729873
6675
C05122
5150
-
pyridoxate
4-Pyridoxic acid
ME729850
6723
C00847
2185
-
guanosine
Guanosine
ME729725
6802
C00387
1662
-
1-hydroxy-2-naphthalenecarboxylate
1-Hydroxy-2-naphthoate
ME729434
6844
C03203
3930
-
propyl 4-hydroxybenzoate
Propylparaben
ME729847
7175
D01422
4794
-
5-oxoproline
Pyroglutamic acid
ME729574
7405
C01879
738.5
-
valerate (5:0)
Valeric acid
ME729898
7991
C00803
1718
-
heptanoate (7:0)
Heptylic acid
ME729727
8094
C17714
3670
-
pelargonate (9:0)
Pelargonic acid
ME729825
8158
C01601
4798
-
indolebutyrate
3-Indolebutyric acid
ME729745
8617
C11284
3308
-
caproate (6:0)
Caproic acid
ME729628
8892
C01585
2713.7
-
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME729473
9338
-
2575
-
3-(4-hydroxyphenyl)lactate (HPLA)
4-Hydroxyphenyllactic acid
ME729509
9378
C03672
1379
-
perfluorooctanoate (PFOA)
Perfluorooctanoic acid
ME729827
9554
-
5130
-
chenodeoxycholate
Chenodeoxycholic acid
ME729633
10133
C02528
5264
-
glycocholate
Glycocholic acid
ME729712
10140
C01921
5163
-
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME729483
10253
C07588
2184
-
3-indoxyl sulfate
Indoxyl sulfate
ME729532
10258
-
2222.2
-
isovalerate (C5)
Isovaleric acid
ME729755
10430
C08262
1564
-
margarate (17:0)
Margaric acid
ME729766
10465
-
5731
-
16-hydroxypalmitate
Juniperic acid
ME729464
10466
C18218
5236.2
-
arachidate (20:0)
Arachidic acid
ME729615
10467
C06425
6240
-
N-acetylglycine
N-Acetylglycine
ME729781
10972
-
731
-
myristate (14:0)
Myristic acid
ME729773
11005
C06424
5440
-
succinimide
Succinimide
ME729861
11439
C07273
1270
-
levulinate (4-oxovalerate)
Levulinic acid
ME729759
11579
-
934.6
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME729709
12544
C05466
5236.1
-
nonadecanoate (19:0)
Nonadecenoic acid
ME729808
12591
C16535
6068
-
dehydroepiandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME729646
12594
C04555
4745
-
dodecanedioate (C12)
Dodecanedioic acid
ME729662
12736
C02678
2990
-
2'-deoxyuridine
Deoxyuridine
ME729468
13712
C00526
1586
-
pentadecanoate (15:0)
Pentadecylic acid
ME729826
13849
C16537
5521
-
dihydroferulate
Dihydroferulic acid
ME729654
14340
-
1928
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME729456
14891
C13910
5085.8
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME729449
14900
-
6550
-
pseudouridine
Pseudouridine
ME729849
15047
C02067
1100
-
undecanedioate (C11-DC)
Undecanedioic acid
ME729893
15816
-
2440
-
3-hydroxymyristate
3-Hydroxytetradecanoic acid
ME729526
16064
-
5335
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME729544
18189
C02946
894
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME729482
21488
-
4840
-
N-(2-furoyl)glycine
2-Furoylglycine
ME729775
21863
-
1525
-
guaiacol sulfate
Guaiacol sulfate
ME729723
22473
-
2344
-
S-methylcysteine
Methylcysteine
ME729854
24417
-
880
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME729520
26612
-
4634.7
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME729527
26613
-
3446
-
phytanate
Phytanic acid
ME729836
26840
C01607
5908
-
ursodeoxycholate
Ursodeoxycholic acid
ME729897
31401
C07880
5055
-
4-hydroxychlorothalonil
4-Hydroxychlorothalonil
ME729554
34217
-
4427
-
acesulfame
Acesulfame
ME729596
36573
-
1581
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME729422
64960
C07326
802
-
3-methylhistidine
3-Methylhistidine
ME729538
64969
C01152
906.3
-
N4-acetylsulfamethoxazole*
N-Acetylsulfamethoxazole
ME729802
65280
C13061,D01601
2489
-
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME729799
65977
-
1367
-
N-acetylvaline
N-Acetylvaline
ME729789
66789
-
1704
-
2-ketocaprylate
2-Keto-octanoic acid
ME729489
67600
-
3951
-
N-acetyltyrosine
N-Acetyltyrosine
ME729788
68310
-
1680
-
7-methylxanthine
7-Methylxanthine
ME729592
68374
C16353
1638.5
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME729620
69362
-
1027
-
2-hydroxystearate
2-Hydroxystearic acid
ME729488
69417
C03045
5695
-
2-aminooctanoate
2-Aminocaprylic acid
ME729476
69522
-
3385
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME729798
69698
C05842
1668
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME729593
69820
-
2300
-
1,3-dimethylurate
1,3-Dimethyluric acid
ME729421
70346
-
1671.4
-
3-methylxanthine
3-Methylxanthine
ME729539
70639
C16357
1700
-
N-acetylleucine
N-Acetylleucine
ME729782
70912
C02710
2400
-
glycolithocholate sulfate*
Sulfoglycolithocholic acid
ME729719
72222
C11301
5011
-
3-indoleglyoxylic acid
-
ME729531
73863
-
2140
-
phenol sulfate
Phenyl hydrogen sulfate
ME729828
74426
C02180
2156
-
2-naphthol sulfate
2-Naphthyl sulfate
ME729497
74428
-
3658
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME729784
74839
C03519
2597
-
eicosanedioate (C20-DC)
Eicosanedioic acid
ME729665
75502
-
5200.9
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME729778
76406
C01073
773
-
1-myristoylglycerol (14:0)
MG 16:3
ME729441
79050
C01885
6353.3
-
1,3,7-trimethylurate
1,3,7-Trimethyluric acid
ME729420
79437
C16361
1985
-
1-methylxanthine
1-Methylxanthine
ME729440
80220
C16358
1568.8
-
3,7-dimethylurate
3,7-Dimethyluric acid
ME729504
83126
C16360
1418
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME729604
83697
C03264
1840
-
4-acetaminophen sulfate
Paracetamol sulfate
ME729547
83939
C06804
1792
-
4-acetamidophenylglucuronide
p-Acetamidophenylglucuronide
ME729546
83944
-
1400
-
3-(N-acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME729511
83967
-
2094
-
N-acetylalanine
N-Acetylalanine
ME729779
88064
C02847
861
-
butyrylglycine (C4)
N-Butyrylglycine
ME729625
88412
-
1470
-
1,7-dimethylurate
1,7-Dimethyluric acid
ME729423
91611
C16356
1578.6
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME729831
92258
C04148
2330
-
hyocholate
Hyocholic acid
ME729740
92805
C17649
5046
-
N6-acetyllysine
N6-Acetyllysine
ME729803
92832
C02727
1059
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME729487
92836
-
5511.2
-
indolelactate
Indolelactic acid
ME729746
92904
C02043
2286
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME729541
92997
-
5205
-
5,6-dihydrothymine
Dihydrothymine
ME729565
93556
C00906
1637.8
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME729486
94180
-
3736.8
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME729525
94216
-
5175
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME729567
94312
-
1119
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME729692
94340
-
1240
-
N-acetyl-2-aminooctanoate*
N-Acetyl-2-aminooctanoic acid
ME729776
95555
-
3943
-
guanidinosuccinate
Guanidinosuccinic acid
ME729724
97856
C03139
640.2
-
phenylalanylglycine
Phe-Gly
ME729832
98207
-
2462
-
propionylglycine (C3)
Propionylglycine
ME729846
98681
-
960
-
hexanoylglycine (C6)
Hexanoylglycine
ME729731
99463
-
2900
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME729605
99823
-
1126
-
alpha-hydroxycaproate
2-Hydroxyhexanoic acid
ME729603
99824
-
1920
-
2'-O-methyluridine
2'-O-Methyluridine
ME729469
102212
-
1831
-
pregnenolone sulfate
Pregnenolone sulfate
ME729844
105074
-
5100
-
N4-acetylcytidine
N4-Acetylcytidine
ME729801
107461
-
2040
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME729690
111299
-
1825
-
androsterone glucuronide
Androsterone 3-glucuronide
ME729613
114833
C11135
4953
-
glycolithocholate
Glycolithocholic acid
ME729718
115245
C15557
5357.1
-
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME729664
122136
C13690
1556.2
-
pyrraline
Pyrraline
ME729851
122228
-
2304
-
pregnanediol-3-glucuronide
Pregnanediol-3-glucuronide
ME729838
123796
-
5145
-
pristanate
Pristanic acid
ME729845
123929
-
5773
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME729515
123979
-
2800
-
isoursodeoxycholate
Isoursodeoxycholic acid
ME729752
127601
C17662
4809
-
acisoga
Acisoga
ME729597
129397
-
2297
-
umbelliferone sulfate
Umbelliferone sulfate
ME729892
129659
-
2440
-
gamma-CEHC
gamma-CEHC
ME729688
133098
-
3843
-
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME729502
134595
-
3935
-
N-palmitoylglycine
N-Palmitoyl glycine
ME729795
151008
-
5580
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME729556
151012
-
1475
-
(12 or 13)-methylmyristate (a15:0 or i15:0)
Isopentadecylic acid
ME729414
151014
-
5499
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME729522
151492
-
1725
-
N-acetylthreonine
N-Acetylthreonine
ME729786
152204
-
821.6
-
ethyl glucuronide
Ethyl glucuronide
ME729671
152226
-
793
-
17alpha-hydroxypregnenolone 3-sulfate
-
ME729467
152971
-
4800
-
tyramine O-sulfate
Tyramine-O-sulfate
ME729891
153005
-
1565
-
p-cresol glucuronide*
P-Cresol glucuronide
ME729816
154035
-
2420
-
naproxen
Naproxen
ME729806
156391
C01517
4155
-
androsterone sulfate
5alpha-Androstane-3alpha-ol-17-one sulfate
ME729614
159663
-
5022
-
N-acetyltaurine
N-Acetyltaurine
ME729785
159864
-
800
-
vanillactate
Vanillactic acid
ME729900
160637
-
1625
-
hydroquinone sulfate
Quinol sulfate
ME729737
161220
C00530
1395
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME729804
161466
-
2164
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME729479
164623
-
1800
-
N6-succinyladenosine
Succinyladenosine
ME729805
165243
-
940
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME729543
165511
C17333
5398
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME729705
167572
-
630
-
N-stearoyltaurine
N-Stearoyl taurine
ME729797
168274
-
5782
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME729870
168408
-
4774
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME729571
170748
-
1267
-
3-(3-amino-3-carboxypropyl)uridine*
3-(3-amino-3-carboxypropyl)uridine
ME729506
171198
-
1369
-
eugenol sulfate
Eugenol sulfate
ME729673
180632
-
3782
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME729477
181670
-
1677
-
2-acetamidophenol sulfate
2-Acetamidophenol sulfate
ME729474
181671
-
2251
-
3-hydroxycotinine glucuronide
trans-3-Hydroxycotinine glucuronide
ME729519
183115
-
1745
-
3-hydroxyhippurate sulfate
-
ME729524
186339
-
1047
-
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME729508
187488
-
1294
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME729517
188979
-
975
-
1-pentadecanoylglycerol (15:0)
MG 15:0
ME729450
190750
-
6200
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME729777
193270
-
1360
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME729481
193484
-
6384
-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ME729514
194501
-
4000
-
cholate
Cholic acid
ME729634
221493
C00695
5165
-
deoxycholate
Deoxycholic acid
ME729649
222528
C04483
5294
-
cortisone
Cortisone
ME729643
222786
C00762
4575
-
5alpha-androstan-3beta,17beta-diol disulfate
-
ME729581
242332
C12525
3880
-
etiocholanolone glucuronide
Androsterone 3-glucuronide
ME729672
270605
-
4915
-
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME729470
301941
-
787
-
histidylalanine
His-Ala
ME729734
351667
-
970
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME729871
387316
C05465
5250
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME729853
439155
C00021
1832.4
-
pantoate
(R)-Pantoic acid
ME729821
439251
C00522
1143
-
N-formylmethionine
N-Formylmethionine
ME729791
439750
C03145
1543.8
-
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME729877
440071
C03642
5027
-
tartarate
Tartaric acid
ME729868
444305
C00898
615.3
-
arachidonate (20:4n6)
Arachidonic acid
ME729616
444899
C00219
5535
-
5-methyluridine (ribothymidine)
Ribothymidine
ME729573
445408
-
1778.1
-
docosahexaenoate (DHA; 22:6n3)
LPC 22:6
ME729656
445580
C06429
5525
-
palmitoleate (16:1n7)
Palmitoleic acid
ME729819
445638
C08362
5475
-
eicosapentaenoate (EPA; 20:5n3)
Eicosapentaenoic acid
ME729666
446284
C06428
5450
-
N-acetylmethionine
N-Acetylmethionine
ME729783
448580
C02712
1787
-
3-hydroxyhippurate
3-Hydroxyhippuric acid
ME729523
450268
-
1687
-
riboflavin (Vitamin B2)
Riboflavin
ME729852
493570
C00255
3160
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME729810
514186
-
990
-
isovalerylglycine
Isovalerylglycine
ME729756
546304
-
1950
-
N-acetylcitrulline
N-Acetylcitrulline
ME729780
656979
C15532
940
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME729787
700653
C03137
2630
-
cinnamoylglycine
Cinnamoylglycine
ME729636
709625
-
3127
-
taurodeoxycholate
Taurodeoxycholic acid
ME729875
2733768
C05463
5257.4
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME729590
3014237
-
965
-
glycodeoxycholate
Glycodeoxycholic acid
ME729715
3035026
C05464
5281
-
3beta,7alpha-dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoic acid
ME729542
3081084
C17335
5275
-
7-HOCA
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME729591
3081085
C17337
5288.1
-
vanillic acid glycine
-
ME729901
3083688
-
1682
-
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME729416
3083779
-
5993
-
catechol sulfate
Catechol sulfate
ME729632
3083879
-
1906
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME729447
3300276
-
5570
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME729691
3989307
-
1960
-
threonylphenylalanine
Thr-Phe
ME729882
4099799
-
2322
-
p-cresol sulfate
p-Cresol sulfate
ME729817
4615423
-
2890
-
5alpha-pregnan-diol disulfate
-
ME729587
5127902
-
4310
-
linoleate (18:2n6)
Linoleic acid
ME729760
5280450
C01595
5535
-
dihomolinolenate (20:3n3 or 3n6)
Eicosatrienoic acid
ME729653
5280581
C03242
5596
-
linolenate (18:3n3 or 3n6)
Octadecatrienoic acid
ME729761
5280934
C06426
5450
-
erucate (22:1n9)
cis-Erucic acid
ME729670
5281116
C08316
6355.6
-
myristoleate (14:1n5)
Myristoleic acid
ME729774
5281119
C08322
5346.9
-
2-arachidonoylglycerol (20:4)
MG 20:4
ME729478
5282280
C13856
6170
-
1-arachidonylglycerol (20:4)
MG 20:4
ME729426
5282281
C13857
6250
-
eicosenoate (20:1n9 or 1n11)
cis-Gondoic acid
ME729668
5282768
C16526
5950
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME729655
5282807
C16533
6034
-
3-hydroxystearate
3-Hydroxystearic acid
ME729530
5282907
-
5674
-
thromboxane B2
TXB2
ME729883
5283137
C05963
4526
-
12-HHTrE
12S-HHTrE
ME729461
5283141
C20388
5175
-
linoleoyl ethanolamide
Linoleoyl-EA
ME729762
5283446
-
6150
-
oleoyl ethanolamide
Oleoyl-EA
ME729814
5283454
-
6450
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME729444
5283468
-
6650
-
1-linoleoylglycerol (18:2)
MG 18:2
ME729439
5283469
-
6477
-
topiramate
Topiramate
ME729886
5284627
C07502
4021
-
cis-4-decenoate (10:1n6)*
4Z-Decenoic acid
ME729639
5312351
-
4890
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME729568
5312378
-
5224
-
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME729879
5312409
-
5292
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME729454
5312435
-
5555
-
stearidonate (18:4n3)
Stearidonic acid
ME729860
5312508
C16300
5395
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME729455
5312513
-
5780
-
docosatrienoate (22:3n3)
13,16,19-Docosatrienoic acid
ME729659
5312556
C16534
5823
-
2-hydroxynervonate*
Hydroxynervonic acid
ME729485
5312783
-
6345
-
12-HETE
12-HETE
ME729460
5312983
-
5326
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME729498
5319879
-
6500
-
2-linoleoylglycerol (18:2)
MG 18:2
ME729490
5365676
-
6250
-
adrenate (22:4n6)
Adrenic acid
ME729599
5497181
C16527
5678
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME729446
6419701
C04036
5600
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME729564
6426766
C05627
3320
-
N-oleoyltaurine
N-Oleoyl taurine
ME729794
6437033
-
5610
-
dihomolinoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME729652
6439848
C16525
5730
-
docosapentaenoate (DPA; 22:5n3)
-
ME729657
6441454
C16513
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME729658
6441454
C16513
5624.5
-
indolepropionylglycine
Indolepropionylglycine
ME729748
7677842
-
2926
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME729453
9547101
-
5800
-
9-hydroxystearate
9-Hydroxy stearic acid
ME729595
9570127
-
5384
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME729790
9920500
-
858
-
epiandrosterone sulfate
Epiandrosterone
ME729669
9929317
-
4855
-
alpha-CEHC
alpha-CEHC
ME729600
9943542
-
4045
-
9,10-DiHOME
9,10-DiHOME
ME729594
9966640
C14828
5180
-
12,13-DiHOME
12,13-DiHOME
ME729459
10236635
C14829
5137
-
2-hydroxyibuprofen
2-Hydroxyibuprofen
ME729484
10443535
-
3462
-
carboxyibuprofen
Carboxyibuprofen
ME729630
10444113
-
1920
-
isobutyrylglycine (C4)
Isobutyrylglycine
ME729750
10855600
-
1420
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME729626
10981970
-
1777
-
delta-CEHC
-
ME729647
11536125
-
3422
-
phenylacetylglutamate
N-Phenylacetylglutamic acid
ME729830
11579826
-
1570
-
o-cresol sulfate
o-Cresol sulfate
ME729809
11615528
-
2796
-
picolinoylglycine
Picolinoylglycine
ME729837
11788622
-
1867
-
nisinate (24:6n3)
THA
ME729807
11792612
-
5657
-
heneicosapentaenoate (21:5n3)
Heneicosapentaenoic acid
ME729726
11998573
-
5514
-
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME729720
12310288
-
5033
-
androstenediol (3beta,17beta) monosulfate (1)
-
ME729611
13847309
-
4535
-
hexadecadienoate (16:2n6)
Hexadecadienoic acid
ME729728
13932172
-
5398
-
2-methoxyacetaminophen glucuronide*
2-Methoxyacetaminophen glucuronide
ME729491
14367271
-
1633
-
2-palmitoyl-GPC* (16:0)*
LPC 0:0/16:0
ME729500
15061532
-
6215
-
3-hydroxydodecanedioate*
3-Hydroxy-dodecanedioic acid
ME729521
16663321
-
2252
-
4-ethylphenyl sulfate
4-Ethylphenol
ME729552
20822574
C13637
3580
-
indoleacetylglutamine
Indoleacetyl glutamine
ME729744
25200879
-
2535
-
1-linolenoylglycerol (18:3)
MG 18:3
ME729435
53480978
-
6214
-
4-hydroxycoumarin
4-Hydroxycoumarin
ME729555
54682930
C20414
2470
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME729619
72715786
C20775
530
-
2-hydroxyacetaminophen sulfate*
2-Hydroxyacetaminophen sulfate
ME729480
86290013
-
1674
-
2-methoxyacetaminophen sulfate*
2-Methoxyacetaminophen sulfate
ME729492
86290014
-
1949
-
androstenediol (3beta,17beta) disulfate (1)
-
ME729609
87120982
C04295
3740
-
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME729589
122198196
-
2498
-
11beta-hydroxyandrosterone glucuronide
-
ME729458
-
-
4209
-
11-ketoetiocholanolone glucuronide
-
ME729457
-
-
4280
-
1,2,3-benzenetriol sulfate (2)
-
ME729419
-
-
1709
-
13-HODE + 9-HODE
HODE
ME729462
-
-
5275
-
14-HDoHE/17-HDoHE
-
ME729463
-
-
5296
-
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME729415
-
-
5695
-
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME729465
-
-
4240
-
17alpha-hydroxypregnanolone glucuronide
-
ME729466
-
-
5071.9
-
1-arachidonoyl-GPA (20:4)
LPA 20:4/0:0
ME729424
-
-
5499
-
1-arachidonoyl-GPI* (20:4)*
LPI 20:4/0:0
ME729425
-
-
5482
-
1-carboxyethylisoleucine
1-Carboxyethylisoleucine
ME729427
-
-
2628
-
1-carboxyethylleucine
1-Carboxyethylleucine
ME729428
-
-
2663
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME729429
-
-
2844
-
1-carboxyethylvaline
1-Carboxyethylvaline
ME729430
-
-
2008
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME729431
-
-
6400
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME729432
-
-
6150
-
1-heptadecenoylglycerol (17:1)*
MG 17:1/0:0/0:0
ME729433
-
-
6390
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME729436
-
-
5483
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME729437
-
-
5516
-
1-linoleoyl-GPI* (18:2)*
LPI 18:2/0:0
ME729438
-
-
5494
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME729442
-
-
5610
-
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME729443
-
-
5599
-
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME729445
-
-
6094
-
1-palmitoyl-GPI* (16:0)
LPI 16:0/0:0
ME729448
-
-
5564
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME729451
-
-
5816
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME729452
-
-
5794
-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
ME729471
-
-
1156
-
2,4-di-tert-butylphenol
2,4-Ditert-butylphenol
ME729472
-
-
5749
-
(2,4 or 2,5)-dimethylphenol sulfate
-
ME729418
-
-
3474
-
2-methoxyhydroquinone sulfate (1)
-
ME729493
-
-
1505
-
2-methoxyhydroquinone sulfate (2)
-
ME729494
-
-
1619
-
2-methoxyresorcinol sulfate
-
ME729495
-
-
1863
-
2-methylcitrate/homocitrate
Homocitric acid
ME729496
-
-
575
-
(2 or 3)-decenoate (10:1n7 or n8)
Decenoic acid
ME729417
-
-
4990
-
2-palmitoleoyl-GPC* (16:1)*
LPC 0:0/16:1
ME729499
-
-
5720
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME729501
-
-
6350
-
3,5-dichloro-2,6-dihydroxybenzoic acid
3,5-Dichloro-2,6-dihydroxybenzoic acid
ME729503
-
-
4412
-
3-acetylphenol sulfate
3-Acetylphenol sulfate
ME729512
-
-
2477
-
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*
3-Bromo-5-chloro-2,6-dihydroxybenzoic acid
ME729513
-
-
4505
-
3-ethylcatechol sulfate (1)
-
ME729516
-
-
3422
-
3-hydroxy-2-methylpyridine sulfate
-
ME729518
-
-
1849
-
3-hydroxyoleate*
-
ME729528
-
-
5508
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME729529
-
-
1595.5
-
3-methoxycatechol sulfate (1)
-
ME729533
-
-
2163
-
3-methoxycatechol sulfate (2)
-
ME729534
-
-
2200
-
3-methyl catechol sulfate (1)
-
ME729535
-
-
2790
-
3-(methylthio)acetaminophen sulfate*
-
ME729510
-
-
2265
-
4-acetylcatechol sulfate (1)
-
ME729548
-
-
1774
-
4-allylcatechol sulfate
-
ME729549
-
-
3571
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME729550
-
-
3805
-
4-ethylcatechol sulfate
-
ME729551
-
-
3379
-
4-methoxyphenol sulfate
4-Methoxyphenol sulfate
ME729559
-
-
2412
-
4-methylcatechol sulfate
-
ME729561
-
-
2665
-
4-methylguaiacol sulfate
-
ME729562
-
-
2978
-
4-vinylguaiacol sulfate
4-Vinylguaiacol sulfate
ME729563
-
-
3354
-
5alpha-androstan-3alpha,17alpha-diol monosulfate
-
ME729575
-
-
5208
-
5alpha-androstan-3alpha,17beta-diol 17-glucuronide
-
ME729576
-
-
4930
-
5alpha-androstan-3alpha,17beta-diol disulfate
5alpha-Androstan-3alpha,17beta-diol disulfate
ME729577
-
-
4275
-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...
-
ME729578
-
-
4925
-
5alpha-androstan-3alpha,17beta-diol monosulfate (2...
-
ME729579
-
-
5080
-
5alpha-androstan-3beta,17alpha-diol disulfate
5alpha-Androstan-3beta,17alpha-diol disulfate
ME729580
-
-
4215
-
5alpha-androstan-3beta,17beta-diol monosulfate (2)
-
ME729582
-
-
4685
-
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME729583
-
-
3962
-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
-
ME729584
-
-
5060
-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)
-
ME729585
-
-
5180
-
5alpha-pregnan-3beta-ol,20-one sulfate
-
ME729586
-
-
5136
-
5-hydroxy-2-methylpyridine sulfate
-
ME729569
-
-
2074
-
5-hydroxyindole sulfate
-
ME729572
-
-
1928
-
6-bromotryptophan
6-Bromotryptophan
ME729588
-
-
3565
-
aconitate [cis or trans]
cis-Aconitic acid
ME729598
-
-
580
-
ADpSGEGDFXAEGGGVR*
-
ME729682
-
-
2016
-
alpha-CEHC sulfate
alpha-CEHC sulfate
ME729601
-
-
3090
-
alpha-CMBHC glucuronide
-
ME729602
-
-
3664
-
androstenediol (3alpha, 17alpha) monosulfate (2)
-
ME729607
-
-
4712
-
androstenediol (3alpha, 17alpha) monosulfate (3)
-
ME729608
-
-
5180
-
androstenediol (3beta,17beta) disulfate (2)
-
ME729610
-
-
4065
-
androstenediol (3beta,17beta) monosulfate (2)
-
ME729612
-
-
4500
-
andro steroid monosulfate C19H28O6S (1)*
-
ME729606
-
-
3871
-
branched chain 14:0 dicarboxylic acid
-
ME729621
-
-
3849
-
branched-chain, straight-chain, or cyclopropyl 10:...
Decenoic acid
ME729622
-
-
4805
-
branched-chain, straight-chain, or cyclopropyl 12:...
-
ME729623
-
-
5261
-
carnitine of C10H14O2 (5)*
-
ME729631
-
-
4521
-
cholic acid glucuronide
Cholic acid glucuronide
ME729635
-
-
4512
-
cis-3,4-methyleneheptanoate
-
ME729637
-
-
3679
-
cis-3,4-methyleneheptanoylglycine
-
ME729638
-
-
3731
-
cortolone glucuronide (1)
-
ME729644
-
-
4600
-
delta-CEHC glucuronide
-
ME729648
-
-
2116
-
deoxycholic acid 12-sulfate*
-
ME729650
-
-
4580
-
deoxycholic acid glucuronide
-
ME729651
-
-
4800
-
docosatrienoate (22:3n6)*
Docosatrienoic acid
ME729660
-
-
5850
-
dodecadienoate (12:2)*
Dodecadienoic acid
ME729661
-
-
5146
-
dodecenedioate (C12:1-DC)*
Traumatic acid
ME729663
-
-
2700
-
DSGEGDFXAEGGGVR*
-
ME729681
-
-
2535
-
eicosenedioate (C20:1-DC)*
-
ME729667
-
-
5095
-
Fibrinopeptide A (2-15)
-
ME729674
-
-
2120
-
Fibrinopeptide A (3-15)
-
ME729675
-
-
2419
-
Fibrinopeptide A (3-16)
-
ME729676
-
-
2786
-
Fibrinopeptide A (4-15)
-
ME729677
-
-
2570
-
Fibrinopeptide A (5-16)*
-
ME729678
-
-
2850
-
Fibrinopeptide A (7-16)*
-
ME729679
-
-
3258
-
Fibrinopeptide A (8-16)
-
ME729680
-
-
3944
-
Fibrinopeptide B (1-11)
-
ME729683
-
-
2389
-
Fibrinopeptide B (1-12)
-
ME729684
-
-
2366
-
Fibrinopeptide B (1-13)
-
ME729685
-
-
2482
-
Fibrinopeptide B (1-9)
-
ME729686
-
-
905
-
gamma-CEHC glucuronide*
-
ME729689
-
-
2500
-
GlcNAc sulfate conjugate of C21H34O2 steroid
-
ME729694
-
-
4336.7
-
glucuronide of C10H18O2 (7)*
-
ME729696
-
-
3790
-
glucuronide of C10H18O2 (8)*
-
ME729697
-
-
3865
-
glucuronide of piperine metabolite C17H21NO3 (3)*
-
ME729698
-
-
3951
-
glucuronide of piperine metabolite C17H21NO3 (4)*
-
ME729699
-
-
3992
-
glucuronide of piperine metabolite C17H21NO3 (5)*
-
ME729700
-
-
4039
-
glu-gly-asn-val
-
ME729695
-
-
1000
-
glutamine conjugate of C6H10O2 (1)*
-
ME729701
-
-
2404
-
glutamine conjugate of C6H10O2 (2)*
-
ME729702
-
-
2526
-
glutamine conjugate of C7H12O2*
-
ME729703
-
-
3053
-
glycine conjugate of C10H12O2*
-
ME729706
-
-
4005
-
glycine conjugate of C10H14O2 (1)*
-
ME729707
-
-
4335
-
glyco-beta-muricholate
Glyco-beta-muricholic acid
ME729708
-
-
4762
-
glycochenodeoxycholate 3-sulfate
Glycochenodeoxycholic acid 3-sulfate
ME729710
-
-
4820
-
glycochenodeoxycholate glucuronide (1)
Glycochenodeoxycholic acid 3-glucuronide
ME729711
-
-
4806
-
glycocholate glucuronide (1)
-
ME729713
-
-
4533
-
glycocholenate sulfate*
Glycocholenate sulfate
ME729714
-
-
4750
-
glycodeoxycholate 3-sulfate
Glycodeoxycholic acid 3-sulfate
ME729716
-
-
4875
-
glycohyocholate
Glycohyocholic acid
ME729717
-
-
5020
-
glycoursodeoxycholic acid sulfate (1)
-
ME729721
-
-
4309
-
glycoursodeoxycholic acid sulfate (2)
-
ME729722
-
-
4610
-
hexadecenedioate (C16:1-DC)*
-
ME729729
-
-
4380
-
hexanoylglutamine
Hexanoylglutamine
ME729730
-
-
2780
-
hydroxy-CMPF*
-
ME729738
-
-
1516
-
hydroxy-undecanedioate (OH-C11:0-DC)*
-
ME729739
-
-
1482
-
isoeugenol sulfate
-
ME729751
-
-
3893
-
isoursodeoxycholate sulfate (1)
-
ME729753
-
-
4082
-
isoursodeoxycholate sulfate (2)
-
ME729754
-
-
4343
-
lithocholate sulfate (1)
Lithocholic acid sulfate
ME729763
-
-
4811
-
lithocholic acid sulfate (2)
Lithocholic acid sulfate
ME729764
-
-
5028
-
meloxicam
Meloxicam
ME729767
-
D00969,C08169
4100
-
metabolonic lactone sulfate
-
ME729768
-
-
4802
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME729770
-
-
2873
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME729769
-
-
1070
-
methylnaphthyl sulfate (1)*
-
ME729771
-
-
4117
-
methylnaphthyl sulfate (2)*
-
ME729772
-
-
4163
-
N4-acetyl-5-hydroxysulfamethoxazole*
-
ME729800
-
-
1745
-
N-linoleoylserine*
-
ME729792
-
-
5492
-
N-oleoylserine
NASer 18:1(9Z)
ME729793
-
-
5600
-
N-stearoylserine*
N-Stearoyl serine
ME729796
-
-
5777
-
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME729811
-
-
4676
-
octadecenedioate (C18:1-DC)
-
ME729812
-
-
4875
-
oleate/vaccenate (18:1)
Oleic acid
ME729813
-
-
5655
-
pregnanolone/allopregnanolone sulfate
3alpha-Hydroxy-5beta-pregnane-20-one
ME729839
-
-
5160
-
pregnen-diol disulfate*
-
ME729840
-
-
3868
-
pregnenediol sulfate (C21H34O5S)*
Pregnenolone sulfate
ME729841
-
-
5000
-
pregnenetriol disulfate*
-
ME729842
-
-
3504
-
pregnenetriol sulfate*
-
ME729843
-
-
4749
-
propyl 4-hydroxybenzoate sulfate
-
ME729848
-
-
3971
-
salicyluric glucuronide*
Salicyluric glucuronide
ME729857
-
-
1463
-
sulfate*
Sulfate
ME729867
-
-
4112
-
sulfate of piperine metabolite C16H19NO3 (2)*
-
ME729863
-
-
4112
-
sulfate of piperine metabolite C16H19NO3 (3)*
-
ME729864
-
-
4200
-
sulfate of piperine metabolite C18H21NO3 (1)*
-
ME729865
-
-
4481
-
sulfate of piperine metabolite C18H21NO3 (3)*
-
ME729866
-
-
4630
-
taurochenodeoxycholic acid 3-sulfate
Taurochenodeoxycholic acid 3-sulfate
ME729872
-
-
4809
-
taurocholenate sulfate*
Taurocholenate sulfate
ME729874
-
-
4750
-
taurodeoxycholic acid 3-sulfate
Taurodeoxycholic acid 3-sulfate
ME729876
-
-
4850
-
tetradecadienedioate (C14:2-DC)*
-
ME729878
-
-
3148
-
THC carboxylic acid glucuronide
-
ME729880
-
-
5224
-
thymol sulfate
-
ME729884
-
C09908
4410
-
trans-3,4-methyleneheptanoate
-
ME729887
-
-
3807
-
triclosan sulfate
-
ME729888
-
-
5118
-
tridecenedioate (C13:1-DC)*
-
ME729889
-
-
3051
-
vanillic alcohol sulfate
-
ME729902
-
-
1808
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME729909
43
C02630
3352.8
-
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME729927
48
-
1916
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME729928
51
C00026
2700
-
alpha-ketobutyrate
3-Methyl pyruvic acid
ME729926
58
C00109
940
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME729920
87
C06001
1619
-
allantoin
Allantoin
ME729925
204
C02350
1672
-
pimelate (C7-DC)
Pimelic acid
ME729970
385
C02656
2745
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME729919
441
C01089
1480
-
methylmalonate (MMA)
Methylmalonic acid
ME729959
487
C02170
3078.4
-
lactate
Lactic acid
ME729953
612
C00186
1469
-
dihydroorotate
4,5-Dihydroorotic acid
ME729938
648
C00337
1910
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME729906
677
C04039
1050
-
glutarate (C5-DC)
Glutaric acid
ME729948
743
C00489
2900
-
glycerate
Glyceric acid
ME729949
752
C00258
2070.4
-
hydantoin-5-propionate
Hydantoin-5-propionic acid
ME729952
782
C05565
2080
-
myo-inositol
Myo-inositol
ME729961
892
C00137
3506.3
-
orotate
Orotic acid
ME729966
967
C00295
1638.1
-
pyruvate
Pyruvic acid
ME729971
1060
C00022
1083
-
quinolinate
Quinolinic acid
ME729973
1066
C03722
3000
-
succinate
Succinic acid
ME729977
1110
C00042
3149
-
xanthine
Xanthine
ME729980
1188
C00385
2023
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME729917
1662
C03761
2850
-
mannitol/sorbitol
Sorbitol
ME729956
5780
C00794
2320
-
glucose
Glucose
ME729946
5793
C00031
2342
-
fructose
Fructose
ME729942
5984
C00095
2065
-
quinate
Quinic acid
ME729972
6508
C00296
2432.9
-
ribitol
Ribitol
ME729974
6912
C00474
1789.6
-
2,2'-Methylenebis(6-tert-butyl-p-cresol)
-
ME729905
8398
-
703
-
methylsuccinate
Methylsuccinic acid
ME729960
10349
-
2800
-
suberate (C8-DC)
Suberic acid
ME729976
10457
C08278
2577.6
-
gluconate
Gluconic acid
ME729945
10690
C00257
2922
-
ethylmalonate
Ethylmalonic acid
ME729941
11756
-
2785
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME729911
11970
C05852
858.6
-
3-methyladipate
3-Methyladipic acid
ME729921
12292
-
2865
-
mannose
Mannose
ME729958
18950
C00159
2200
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME729962
65065
C01042
3143
-
N-acetylserine
N-Acetylserine
ME729964
65249
-
2000
-
perfluorooctanesulfonate (PFOS)
Perfluorooctanesulfonic acid
ME729969
74483
C18142
662
-
ascorbic acid 2-sulfate
-
ME729931
86484
-
3042
-
5-acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME729923
88299
C16366
1710
-
orotidine
Orotidine
ME729967
92751
-
2250
-
2-O-methylascorbic acid
2-O-Methylascorbic acid
ME729913
99779
-
1512
-
N-formylanthranilic acid
Formylanthranilic acid
ME729965
101399
C05653
900
-
5-acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME729924
108214
C16365
1424
-
galactonate
Galactonic acid
ME729944
128869
C00880
3085
-
xylose
Xylose
ME729981
135191
C00181
1727
-
threonate
Threonic acid
ME729979
151152
C01620
2384
-
3-hydroxyadipate*
3-Hydroxy-adipic acid
ME729918
151913
-
3131
-
gulonate*
Gulonic acid
ME729950
152304
C00257
2750
-
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME729912
161227
C00204
1900
-
N-acetylglutamine
N-Acetylglutamine
ME729963
182230
C02716
2140
-
erythritol
Erythritol
ME729939
222285
C00503
1491
-
maleate
Maleic acid
ME729954
444266
C01384
2640
-
glucuronate
Glucuronic acid
ME729947
444791
C00191
3233.3
-
fumarate
Fumaric acid
ME729943
444972
C00122
3084
-
3-methylglutaconate
3E-Methylglutaconic acid
ME729922
1551553
-
2700
-
2-hydroxyheptanoate*
2-Hydroxy enanthoic acid
ME729910
2750949
-
925
-
erythronate*
Erythronic acid
ME729940
2781043
-
2186
-
mannonate*
Mannonic acid
ME729957
3246006
-
2736
-
ribonate
Ribonic acid
ME729975
5460677
C01685
2425
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME729915
10964471
-
1660
-
maltose
Maltose
ME729955
10991489
C00208
3329.4
-
ascorbic acid 3-sulfate*
-
ME729932
11425365
-
2025
-
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME729914
13120901
-
1543
-
2-hydroxy-4-(methylthio)butanoic acid
2-Hydroxy-4-(methylthio)butanoic acid
ME729907
-
-
1065
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME729908
-
-
1258
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME729916
-
-
2204
-
arabitol/xylitol
Arabitol
ME729929
-
-
1932.4
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME729930
-
-
2700
-
caffeic acid sulfate
-
ME729933
-
-
1307
-
carboxyibuprofen glucuronide*
-
ME729934
-
-
2294
-
citraconate/glutaconate
Citraconic acid/Glutaconic acid
ME729935
-
-
2600
-
decadienedioic acid (C10:2-DC)
-
ME729936
-
-
2329.7
-
dihydrocaffeate sulfate (2)
-
ME729937
-
-
1328
-
heptenedioate (C7:1-DC)*
-
ME729951
-
-
2816
-
pentose acid*
Valeric acid
ME729968
-
-
2180
-
succinoyltaurine
-
ME729978
-
-
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