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Return to study ST003131 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
acetylcarnitine (C2)
CAR 2:0
ME819836
1
C02571
2282
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME819815
43
C02630
958
-
cysteine sulfinic acid
3-Sulfino-alanine
ME819868
109
C00606
597
-
3-ureidopropionate
Ureidopropionic acid
ME819824
111
C02642
875
-
deoxycarnitine
3-Dehydroxycarnitine
ME819875
134
C01181
2052
-
5-aminovalerate
5-Aminopentanoic acid
ME819829
138
C00431
2220
-
adenine
Adenine
ME819838
190
C00147
2221
-
agmatine
Agmatine
ME819842
199
C00179
3057
-
anthranilate
2-Aminobenzoic acid
ME819846
227
C00108
2606
-
arginine
Arginine
ME819848
232
C00062
2825
-
beta-alanine
beta-Alanine
ME819852
239
C00099
1905
-
betaine
Betaine
ME819854
247
C00719
1064
-
choline
Choline
ME819861
305
C00114
1961
-
1-methylnicotinamide
1-Methyl nicotinamide
ME819804
457
C02918
1940
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME819826
500
C01035
2320
-
N-carbamoylputrescine
N-Carbamoylputrescine
ME819971
502
C00436
2015
-
N-methylproline
N-Methyl-proline
ME819977
557
-
1335
-
2-oxoarginine*
2-Oxoarginine
ME819817
558
C03771
1760
-
creatine
Creatine
ME819864
586
C00300
1947
-
creatinine
Creatinine
ME819865
588
C00791
2055
-
cytosine
Cytosine
ME819874
597
C00380
2060
-
glutamate
Glutamic acid
ME819902
611
C00025
1500
-
sedoheptulose-7-phosphate
Sedoheptulose 7-phosphate
ME820028
616
C05382
540
-
dimethylglycine
Dimethylglycine
ME819881
673
C01026
1104
-
glycine
Glycine
ME819912
750
C00037
1375
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME819906
754
C00093
580
-
guanidinoacetate
Guanidoacetic acid
ME819916
763
C00581
1937
-
guanine
Guanine
ME819917
764
C00242
2032
-
histamine
Histamine
ME819919
774
C00388
3035
-
hydroxymethylpyrimidine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME819924
777
C01279
2207
-
hypoxanthine
Hypoxanthine
ME819926
790
C00262
1295
-
imidazole lactate
Imidazolelactic acid
ME819927
793
C05568
2040
-
pipecolate
Pipecolic acid
ME820011
849
C00408
2200
-
nicotinamide
Niacinamide
ME819995
936
C00153
1942
-
nicotinate
Nicotinic acid
ME819998
938
C00253
1673
-
phenethylamine
Phenylethylamine
ME820004
1001
C05332
3065
-
choline phosphate
Choline phosphate
ME819862
1014
C00588
700
-
picolinate
Picolinic acid
ME820009
1018
C10164
910
-
5-hydroxylysine
5-Hydroxylysine
ME819831
1029
C16741
2790
-
putrescine
Putrescine
ME820018
1045
C00134
3027
-
pyridoxal
Pyridoxal
ME820019
1050
C00250
2343
-
pyridoxamine
Pyridoxamine
ME820020
1052
C00534
2975
-
pyridoxine (Vitamin B6)
Pyridoxine
ME820021
1054
C00314
2442
-
phosphate
Phosphoric acid
ME820008
1061
C00009
576
-
quinolinate
Quinolinic acid
ME820023
1066
C03722
845
-
sarcosine
Sarcosine
ME820027
1088
C00213
1280
-
spermidine
Spermidine
ME820031
1102
C00315
3355
-
spermine
Spermine
ME820032
1103
C00750
3350
-
taurine
Taurine
ME820035
1123
C00245
660
-
thiamin (Vitamin B1)
Thiamine
ME820036
1130
C00378
3050
-
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME819828
1136
C04294
2310
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME820045
1145
C01104
2100
-
tryptamine
Tryptamine
ME820047
1150
C00398
3062
-
uracil
Uracil
ME820052
1174
C00106
827
-
urea
Urea
ME820053
1176
C00086
700
-
xanthine
Xanthine
ME820058
1188
C00385
1032
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME820025
1196
C04322
1528
-
2'-deoxyadenosine 3'-monophosphate
-
ME819807
1467
-
1240
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME819830
1826
C05635
1893
-
dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME819879
1879
C00268
1930
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME819858
2572
-
2085
-
1-methylhistamine
1-Methylhistamine
ME819802
3614
C05127
3040
-
serotonin
Serotonin
ME820030
5202
C00780
2550
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME820044
5570
C01004
1388
-
tyramine
Tyramine
ME820050
5610
C00483
2540
-
xanthurenate
Xanthurenic acid
ME820059
5699
C02470
2236
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME820041
5810
C01157
1064
-
cysteine
Cysteine
ME819867
5862
C00097
1475
-
alanine
Alanine
ME819843
5950
C00041
1700
-
serine
Serine
ME820029
5951
C00065
1239
-
aspartate
Aspartic acid
ME819851
5960
C00049
1165
-
glutamine
Glutamine
ME819904
5961
C00064
1291
-
lysine
Lysine
ME819937
5962
C00047
2850
-
inosine
Inosine
ME819930
6021
C00294
1269
-
uridine 5'-monophosphate (UMP)
UMP
ME820054
6030
C00105
590
-
tyrosine
Tyrosine
ME820051
6057
C00082
2430
-
adenosine 5'-monophosphate (AMP)
AMP
ME819840
6083
C00020
1013
-
leucine
Leucine
ME819934
6106
-
2864
-
cytidine 5'-monophosphate (5'-CMP)
CMP
ME819873
6131
C00055
835
-
methionine
Methionine
ME819940
6137
C00073
2526
-
phenylalanine
Phenylalanine
ME820005
6140
C00079
2878
-
cytidine
Cytidine
ME819871
6175
C00475
2124
-
ornithine
Ornithine
ME820001
6262
C00077
2800
-
asparagine
Asparagine
ME819850
6267
C00152
1225
-
threonine
Threonine
ME820039
6288
C00188
1514
-
tryptophan
Tryptophan
ME820048
6305
C00078
2986
-
isoleucine
Isoleucine
ME819931
6306
C00407
2800
-
trizma acetate
2-Amino-2-methylol-propane-1,3-diol
ME820046
6503
C07182
1884
-
pantothenate
Pantothenic acid
ME820003
6613
C00864
1667
-
triethanolamine
Triethanolamine
ME820043
7618
C06771
1963
-
piperidine
Piperidine
ME820012
8082
C01746
2500
-
citrulline
Citrulline
ME819863
9750
C00327
1520
-
dipicolinate
2,6-Pyridinedicarboxylic acid
ME819882
10367
-
1695
-
mevalonolactone
Mevalonolactone
ME819944
10428
-
1375
-
carnitine
Carnitine
ME819859
10917
C00318
1978
-
7-methylguanine
7-Methylguanine
ME819835
11361
C02242
2175
-
N-acetylcysteine
N-Acetylcysteine
ME819957
12035
C06809
1416
-
2'-deoxyadenosine 5'-monophosphate
dAMP
ME819808
12599
C00360
1284
-
2-piperidinone
2-Piperidinone
ME819818
12665
-
1675
-
methylphosphate
Methanolphosphate
ME819943
13130
-
544
-
2'-deoxycytidine
Deoxycytidine
ME819809
13711
C00881
2193
-
2'-deoxyadenosine
Deoxyadenosine
ME819806
13730
C00559
2252
-
2'-deoxycytidine 5'-monophosphate
dCMP
ME819810
13945
C00239
975
-
argininosuccinate
Argininosuccinic acid
ME819849
16950
C03406
2745
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME819825
18189
C02946
1350
-
S-methylcysteine
Methylcysteine
ME820026
24417
-
1955
-
N1-methyladenosine
1-Methyladenosine
ME819983
27476
C02494
2120
-
adenosine
Adenosine
ME819839
60961
C00212
2169
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME819820
64956
C05145
2190
-
2'-deoxyguanosine 5'-monophosphate (dGMP)
dGMP
ME819811
65059
C00362
950
-
homocitrulline
Homocitrulline
ME819922
65072
C02427
1908
-
N1-methylinosine
1-Methylinosine
ME819985
65095
-
1430
-
N-acetylserine
N-Acetylserine
ME819968
65249
-
800
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME819887
65254
-
2784
-
N-acetylarginine
N-Acetylarginine
ME819954
67427
C02562
2245
-
cystine
Cystine
ME819870
67678
C00491
2000
-
beta-guanidinopropanoate
3-Guanidinopropanoic acid
ME819853
67701
C03065
2145
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME819903
68662
-
2170
-
N-acetylhistamine
N-Acetylhistamine
ME819962
69602
C05135
2287
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME819981
69698
C05842
1250
-
methionine sulfone
Methionine sulfone
ME819941
69961
-
1250
-
imidazole propionate
Imidazole propanoate
ME819928
70630
-
2263
-
N-methyl-GABA
4-(Methylamino)butyric acid
ME819974
70703
C15987
2109
-
1-methylhypoxanthine
1-Methylhypoxanthine
ME819803
70765
-
1530
-
N-acetylglutamate
N-Acetylglutamic acid
ME819960
70914
C00624
1050
-
N6-formyllysine
-
ME819991
70923
-
1992
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME819910
71920
C00670
672
-
nicotinamide N-oxide
Nicotinamide N-oxide
ME819996
72661
-
877
-
3-sulfo-L-alanine
Cysteic acid
ME819822
72886
C00506
570
-
pterin
Pterin
ME820017
73000
C00715
1805
-
N-acetylhistidine
N-Acetylhistidine
ME819963
75619
C02997
2065
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME819799
75810
C05828
2064
-
1-methyladenine
1-Methyladenine
ME819801
78821
C02216
2133
-
glycylisoleucine
Gly-Ile
ME819913
88079
-
3002
-
o-Tyrosine
o-Tyrosine
ME820000
91482
-
2772
-
glycylleucine
Gly-Leu
ME819914
92843
C02155
3059
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME819891
92865
C05282
1775
-
5-methylcytidine
5-Methylcytidine
ME819833
92918
-
2227
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME819986
92919
-
2210
-
thioproline
Thioproline
ME820038
93176
-
1250
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME819900
94340
-
2518
-
4-imidazoleacetate
Imidazoleacetic acid
ME819827
96215
C02835
2055
-
N1-methylguanosine
1-Methylguanosine
ME819984
96373
-
1980
-
glycylvaline
Gly-Val
ME819915
97417
-
2734
-
phenylalanylglycine
Phe-Gly
ME820007
98207
-
2898
-
N-acetylasparagine
N-Acetylasparagine
ME819955
99715
-
785
-
N6-methyladenosine
N6-Methyladenosine
ME819992
102175
-
2264
-
propionylcarnitine (C3)
CAR 3:0
ME820016
107738
C03017
2590
-
hypotaurine
Hypotaurine
ME819925
107812
C00519
724
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME819896
111299
-
2992
-
anserine
Anserine
ME819845
112072
C01262
2924
-
stachydrine
Stachydrine
ME820033
115244
C10172
1440
-
N-acetylputrescine
N-Acetylputrescine
ME819967
122356
C02714
2230
-
fructosyllysine
Fructosyllysine
ME819886
123708
-
2784
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME819990
123800
-
2500
-
N-glycolylneuraminate
-
ME819973
123802
C03410
636
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME819959
123826
C04540
1212
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME819880
123831
C03626
2850
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME819907
123874
C01233
659
-
N1,N12-diacetylspermine
N1,N12-Diacetylspermine
ME819980
132680
C03413
3105
-
N-monomethylarginine
Targinine
ME819978
132862
C03884
2845
-
pyroglutamine*
Pyroglutamine
ME820022
134508
-
1900
-
valylglycine
Val-Gly
ME820056
136487
-
2444
-
proline
Proline
ME820014
145742
C00148
1603
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME819892
150914
C05283
1430
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME819812
150971
-
2411
-
methionine sulfoxide
Methionine sulfoxide
ME819942
158980
C02989
1272
-
3-methylcytidine
3-Methylcytidine
ME819821
159649
-
2176
-
argininate*
Argininic acid
ME819847
160437
-
2150
-
3-ureidoisobutyrate
Ureidoisobutyric acid
ME819823
160663
C05100
1207
-
kynurenine
Kynurenine
ME819933
161166
C00328
2739
-
nicotinate ribonucleoside
D-Ribosylnicotinate
ME819999
161234
C05841
1536
-
N6-methyllysine
N(6)-Methyllysine
ME819993
164795
C02728
2831
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME819893
165527
-
1535
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME819909
167572
-
516
-
biotin
Biotin
ME819855
171548
C00120
2253
-
N-acetylglutamine
N-Acetylglutamine
ME819961
182230
C02716
845
-
N-acetyl-cadaverine
N-Acetylcadaverine
ME819952
189087
-
2385
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME819951
193270
-
2056
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME819964
193368
-
880
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME819813
227939
-
3160
-
leucylalanine
Leu-Ala
ME819935
259321
-
2801
-
alanylleucine
Ala-Leu
ME819844
259583
-
3055
-
tryptophylglycine
Trp-Gly
ME820049
263471
-
2930
-
indolin-2-one
Indolin-2-one
ME819929
321710
C12312
2575
-
N-acetylproline
N-Acetyl-proline
ME819966
322640
-
1695
-
histidylalanine
His-Ala
ME819921
351667
-
3014
-
valylleucine
Val-Leu
ME820057
352039
-
3138
-
N-carbamoylalanine
N-Carbamoylalanine
ME819970
426409
-
950
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME819834
439176
C00170
2752
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME819965
439197
C00270
660
-
N-alpha-acetylornithine
N-Acetylornithine
ME819969
439232
C00437
2000
-
formiminoglutamate
Formiminoglutamic acid
ME819885
439233
C00439
1880
-
cystathionine
Cystathionine
ME819866
439258
C02291
2270
-
diaminopimelate
2,6-Diaminopimelic acid
ME819878
439283
C00666
2569
-
pantetheine
Pantetheine
ME820002
439322
C00831
2056
-
cysteinylglycine
Cys-Gly
ME819869
439498
C01419
2132
-
diacetylchitobiose
N,N'-Diacetylchitobiose
ME819876
439544
C01674
790
-
butyrylcarnitine (C4)
CAR 4:0
ME819856
439829
C02862
2860
-
nicotinamide riboside
Nicotinamide riboside
ME819997
439924
C03150
2040
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME819908
439964
C03274
520
-
5-methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME819832
440055
C03592
2303
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME819889
440103
-
1986
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME819988
440120
C03793
2825
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME819982
440810
C05843
1260
-
homostachydrine*
(S)-Homostachydrine
ME819923
441447
C08283
1750
-
riboflavin (Vitamin B2)
Riboflavin
ME820024
493570
C00255
2292
-
N-acetylcitrulline
N-Acetylcitrulline
ME819956
656979
C15532
1010
-
trans-urocanate
Urocanic acid
ME820042
736715
C00785
2285
-
N-carboxymethylalanine
-
ME819972
2764308
-
905
-
ergothioneine
Ergothioneine
ME819883
3032311
C05570
850
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME819911
3081457
-
577
-
histidine betaine (hercynine)*
Hercynine
ME819920
3083620
-
2094
-
thiamin monophosphate
Thiamine monophosphate
ME820037
3382778
C01081
2378
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME819899
3989307
-
2975
-
threonylphenylalanine
Thr-Phe
ME820040
4099799
-
3077
-
leucylglutamine*
Leu-Gln
ME819936
4305457
-
2620
-
lysylleucine
Lys-Leu
ME819938
4682588
-
3370
-
1-ribosyl-imidazoleacetate*
Imidazoleacetic acid riboside
ME819805
5117448
C05131
2006
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME819819
5200225
-
2065
-
valylglutamine
Val-Gln
ME820055
5253209
-
2295
-
feruloylputrescine
Subaphylline
ME819884
5281796
C10497
2862
-
N-methylalanine
N-Methylalanine
ME819975
5288725
C02721
1580
-
N,N-dimethylalanine
N,N-Dimethylalanine
ME819948
5488191
-
1370
-
phenylalanylalanine
Phe-Ala
ME820006
5488196
-
2909
-
prolylglycine
Pro-Gly
ME820015
6426709
-
2136
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME819932
6426851
-
3085
-
hexanoylcarnitine (C6)
CAR 6:0
ME819918
6426853
-
3358
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME819816
6426901
-
3050
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME819800
6451814
-
1989
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME819895
7009567
-
2640
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME819901
7015683
-
2700
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME819888
7015685
-
2725
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME819894
7017195
-
2740
-
N-methylhydroxyproline**
N-Methyl-4-hydroxyproline
ME819976
9860390
-
1145
-
nicotianamine
(R,S,S)-Nicotianamine
ME819994
9882882
C05324
1800
-
N,N-dimethylvaline
-
ME819949
11008044
-
2186
-
pro-hydroxy-pro
Pro-hydroxyPro
ME820013
11673055
-
2128
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME819945
14274897
-
2186
-
glutaminylleucine
Gln-Leu
ME819905
18218208
-
3009
-
N6-carboxyethyllysine
N(6)-(2-Carboxyethyl)-lysine
ME819989
22283604
-
2695
-
malonylcarnitine
CAR DC3:0
ME819939
22833583
-
2086
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME819950
53859791
-
2100
-
adipoylcarnitine (C6-DC)
CAR DC5:0
ME819841
71296139
-
2570
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME820034
71464481
-
2291
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME819898
76078708
-
1750
-
diacetylspermidine*
-
ME819877
87485212
-
2510
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME819953
131802901
-
2305
-
2-dimethylaminoethanol
Dimethylethanolamine
ME819814
-
D07777
1983
-
acetylcholine
Acetylcholine
ME819837
-
C01996
2220
-
butyrylputrescine/isobutyrylputrescine
-
ME819857
-
-
2798
-
chlormequat
-
ME819860
-
-
2224
-
cytidine 2' or 3'-monophosphate (2' or 3'-CMP)
-
ME819872
-
-
847
-
gamma-glutamylcitrulline*
-
ME819890
-
-
1644
-
gamma-glutamylserine
gamma-Glu-Ser
ME819897
-
-
1351
-
N1,N10-dicoumaroylspermidine
-
ME819979
-
-
3125
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME819797
-
-
3080
-
N2-acetyl,N6-methyllysine
N2-Acetyl,N6-methyllysine
ME819987
-
-
2168
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME819958
-
-
715
-
N,N-dimethyl-5-aminovalerate
N,N-Dimethyl-5-aminovaleric acid
ME819947
-
-
2290
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME819946
-
-
2470
-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME820010
-
-
2773
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME819798
-
-
2340
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
palmitoylcarnitine (C16)
CAR 16:0
ME820196
461
C02990
1425
-
3-ketosphinganine
3-Ketosphinganine
ME820117
631
C02934
1400
-
alpha-tocopherol acetate
Tocopherol acetate
ME820122
2117
C13202
2702
-
sphinganine
Sphinganine
ME820204
3126
C00836
1413
-
palmitoyl ethanolamide
Palmitoyl-EA
ME820193
4671
C16512
1643
-
protoporphyrin IX
Protoporphyrin
ME820200
4971
C02191
1417
-
alpha-tocopherol
alpha-Tocopherol
ME820121
14985
C02477
2522
-
stearoyl ethanolamide
Stearoyl-EA
ME820207
27902
-
1787
-
solanidine
Solanidine
ME820202
65727
C06543
1010
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME820104
86554
-
1525
-
4-cholesten-3-one
Cholestenone
ME820118
91477
C00599
2520
-
delta-tocopherol
delta-Tocopherol
ME820147
92094
C14151
2259
-
phytosphingosine
Phytosphingosine
ME820199
122121
C12144
1367
-
octanoylcarnitine (C8)
CAR 8:0
ME820186
123701
C02838
950
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME820085
129657
-
2147
-
palmitoylcholine
Palmitoylcholine
ME820197
151731
-
1482
-
campesterol
Campesterol
ME820133
173183
C01789
2873
-
beta-sitosterol
Sitosterol
ME820128
222284
C01753
3054
-
ergosterol
Ergosterol
ME820151
444679
C01694
2420
-
retinol (Vitamin A)
Retinol
ME820201
445354
C00473
1636
-
1,2-dipalmitoyl-GPE (16:0/16:0)*
PE 16:0/16:0
ME820067
445468
-
2498
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME820066
452110
-
2365
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME820113
497299
-
1606
-
hexadecasphinganine (d16:0)*
C16 Sphinganine
ME820158
656816
C13915
1300
-
behenoyl ethanolamide (22:0)*
Behenoyl-EA
ME820127
3023585
-
2164
-
arachidoyl ethanolamide (20:0)*
Eicosanoyl-EA
ME820125
3787294
-
1941
-
bilirubin (Z,Z)
Bilirubin
ME820131
5280352
C00486
1840
-
stigmasterol
Stigmasterol
ME820211
5280794
C05442
2875
-
fucosterol
Isofucosterol
ME820153
5281328
C08817
2688
-
afromosin
Afrormosin
ME820120
5281704
C10199
991
-
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*
MGDG 18:3/0:0/18:3
ME820061
5282287
C13871
2046
-
alpha-tocotrienol
alpha-Tocotrienol
ME820123
5282347
C14153
1986
-
gamma-tocotrienol
gamma-Tocotrienol
ME820155
5282349
C14155
1918
-
linolenoyl ethanolamide
-
ME820163
5283449
-
1488
-
oleoyl ethanolamide
Oleoyl-EA
ME820187
5283454
-
1661
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME820101
5283496
-
2509
-
heptadecasphingosine (d17:1)
C17 Sphingosine
ME820157
5283557
-
1377
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME820180
5283564
-
2893
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME820183
5283565
-
3392
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME820179
5283572
-
3090
-
N-stearoyl-sphinganine (d18:0/18:0)*
Cer 18:0;O2/18:0
ME820182
5283573
-
3526
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME820098
5287971
-
2160
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME820064
5288075
-
2006
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME820107
5289133
-
2424
-
bilirubin (E,E)*
Bilirubin
ME820129
5315454
-
1045
-
glycitein
Glycitein
ME820156
5317750
C14536
700
-
biliverdin
Biliverdin
ME820132
5353439
C00500
1016
-
sphingosine
Sphingosine
ME820206
5353955
C00319
1393
-
bilirubin (E,Z or Z,E)*
Bilirubin
ME820130
5799469
-
1265
-
D-urobilin
D-Urobilin
ME820144
6276321
C05795
935
-
myristoylcarnitine (C14)
CAR 14:0
ME820175
6426854
-
1350
-
stearoylcarnitine (C18)
CAR 18:0
ME820208
6426855
-
1485
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME820100
6436017
-
2358
-
erucoyl ethanolamide (22:1)*
-
ME820152
6436482
-
1939
-
oleoylcarnitine (C18:1)
CAR 18:1
ME820189
6441392
-
1423
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME820093
6441886
-
2023
-
stigmastadienone
Spinasterone
ME820210
6442194
-
2688
-
sphingadienine
Sphingadienine
ME820203
6449795
-
1350
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME820171
6450015
-
1430
-
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*
-
ME820063
6535011
-
2415
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME820099
9546747
-
2275
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME820109
9546749
-
2522
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*
PE 18:1/18:2
ME820087
9546753
-
2270
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME820092
9546800
-
2198
-
1,2-dilinoleoyl-GPE (18:2/18:2)*
PE 18:2/18:2
ME820065
9546812
-
2083
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME820076
9547058
-
2511
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME820114
9547068
-
1626
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME820105
9547069
-
1544
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME820089
9547071
-
1554
-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)
PS 18:0/18:1
ME820112
9547087
-
3000
-
N-stearoyl-phytosphingosine (t18:0/18:0)*
-
ME820181
9898642
-
3020
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME820194
9939941
-
2168
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME820192
9939965
-
2290
-
decanoylcarnitine (C10)
CAR 10:0
ME820145
10245190
-
1130
-
laurylcarnitine (C12)
CAR 12:0
ME820161
10427569
-
1235
-
N-palmitoyl-phytosphingosine (t18:0/16:0)
Cer 18:0;O3/16:0
ME820177
10506988
-
2632
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME820091
10747814
-
2091
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME820075
10917802
-
1547
-
cholesterol
Cholesterol
ME820142
11025495
C00187
2707
-
1,2-dipalmitoyl-GPG (16:0/16:0)
PG 16:0/16:0
ME820068
11846227
-
3157
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME820083
11988421
C04100
1465
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME820088
16081932
-
1540
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME820106
16219824
-
2300
-
1-palmitoleoyl-GPC (16:1)*
LPC 16:1/0:0
ME820090
24779461
-
1450
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME820084
52925130
-
1482
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME820191
71464547
-
1357
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME820174
90659872
-
1316
-
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME820069
-
-
1566
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME820070
-
-
2154
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME820071
-
-
2270
-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...
PC P-16:0/18:2 or PC O-16:1/18:2
ME820072
-
-
2226
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*
PC P-16:0/18:1 or PC O-16:1/18:1
ME820073
-
-
2443
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*
PE P-16:0/18:1 or PE O-16:1/18:1
ME820074
-
-
2600
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME820077
-
-
1649
-
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)
-
ME820060
-
-
1941
-
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*
-
ME820062
-
-
2256
-
1-arachidonoyl-GPC (20:4n6)*
LPC 20:4/0:0
ME820078
-
C05208
1460
-
1-linolenoyl-GPC (18:3)*
LPC 18:3
ME820079
-
-
1410
-
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:...
DGDG 18:2_18:3
ME820080
-
-
2073
-
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/...
MGDG 18:2_18:3
ME820081
-
-
2209
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*
PC 18:2/18:3
ME820082
-
-
1939
-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*
PC 18:1/18:2
ME820086
-
-
2165
-
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:...
DGDG 16:0_18:3
ME820094
-
-
2278
-
1-palmitoyl-2-linolenoyl-galactosylglycerol (16:0/...
MGDG 16:0_18:3
ME820095
-
-
2455
-
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0...
DGDG 16:0_18:2
ME820096
-
-
2498
-
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/1...
MGDG 16:0_18:2
ME820097
-
-
2731
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME820102
-
-
2160
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME820103
-
-
2653
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME820108
-
-
2380
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME820110
-
-
2644
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME820111
-
-
2858
-
3-hydroxydecanoylcarnitine
CAR 10:0;3OH
ME820115
-
-
961
-
3-hydroxyoleoylcarnitine
CAR 18:1(9Z);3OH
ME820116
-
-
1406
-
5-dodecenoylcarnitine (C12:1)
CAR 12:1(5)
ME820119
-
-
1135
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME820124
-
-
1353
-
arachidoylcarnitine (C20)*
CAR 20:0
ME820126
-
-
1512
-
carotene diol (1)
Carotene diol
ME820134
-
-
1720
-
carotene diol (2)
Carotene diol
ME820135
-
-
1904
-
carotene diol (3)
Carotene diol
ME820136
-
-
1948
-
ceramide (d16:1/24:1, d18:1/22:1)*
Cer 40:2;O2
ME820137
-
-
3850
-
ceramide (d18:1/14:0, d16:1/16:0)*
Cer 36:1;O2
ME820138
-
-
2477
-
ceramide (d18:1/17:0, d17:1/18:0)*
Cer 35:1;O2
ME820139
-
-
3055
-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*
Cer 38:1;O2
ME820140
-
-
3920
-
ceramide (d18:2/24:1, d18:1/24:2)*
Cer 42:3;O2
ME820141
-
-
3858
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME820143
-
-
1057
-
dehydrophytosphingosine*
Dehydrophytosphingosine
ME820146
-
-
1302
-
dihomo-linoleoylcarnitine (C20:2)*
CAR 20:2
ME820148
-
-
1436
-
eicosanoylsphingosine (d20:1)*
-
ME820149
-
-
1443
-
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME820150
-
-
1484
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME820154
-
-
2384
-
hexadecasphingosine (d16:1)*
C16 Sphingosine
ME820159
-
-
1289
-
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**
-
ME820160
-
-
2056
-
lignoceroyl ethanolamide (24:0)*
-
ME820162
-
-
2445
-
linolenoylcarnitine (C18:3)*
CAR 18:3
ME820165
-
-
1310
-
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]*
-
ME820164
-
-
2229
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*
DG 18:2_20:4
ME820166
-
-
2650
-
linoleoylcholine*
alpha-Linoleoylcholine
ME820172
-
-
1388
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*
DG 18:2_18:3
ME820167
-
-
2426
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*
DG 18:2_18:3
ME820168
-
-
2478
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME820169
-
-
2720
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*
DG 18:2_18:2
ME820170
-
-
2790
-
margaroylcarnitine (C17)*
CAR 17:0
ME820173
-
-
1424
-
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...
-
ME820176
-
-
2692
-
N-palmitoyl-sphingadienine (d18:2/16:0)*
Cer 18:2;O2/16:0
ME820178
-
-
2490
-
octadecanedioylcarnitine (C18-DC)*
CAR DC18:0
ME820184
-
-
1227
-
octadecenedioylcarnitine (C18:1-DC)*
CAR DC18:1
ME820185
-
-
1180
-
oleoylcholine
Oleoylcholine
ME820190
-
-
1449
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME820188
-
-
3223
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*
DG 16:0_18:2
ME820195
-
-
3197
-
pentadecanoylcarnitine (C15)*
CAR 15:0
ME820198
-
-
1362
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME820205
-
-
3033
-
stearoylcholine*
Stearoylcholine
ME820209
-
-
1520
-
undecenoylcarnitine (C11:1)
CAR 11:1
ME820212
-
-
1069
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME820542
45
C02287
610
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME820317
47
C00671
2064.2
-
4-methyl-2-oxopentanoate
Ketoleucine
ME820329
70
C00233
2170
-
3,4-dihydroxybenzoate
Protocatechuic acid
ME820294
72
C00230
729
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME820295
91
C11457
1980
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME820318
107
C05629
2860
-
p-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME820518
126
C00633
2040
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME820326
127
C00642
1361
-
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME820322
135
C00156
820
-
benzoate
Benzoic acid
ME820359
243
C00180
1750
-
butyrate/isobutyrate (4:0)
Butyric acid
ME820365
264
C00246
1062
-
citrate
Citric acid
ME820380
311
C00158
582
-
caprylate (8:0)
Caprylic acid
ME820369
379
C06423
4362
-
hippurate
Hippuric acid
ME820453
464
C01586
2106.9
-
4-methylthio-2-oxobutanoate
2-Oxo-4-methylthiobutanoic acid
ME820330
473
C01180
1635
-
malate
Malic acid
ME820481
525
C00149
615.6
-
flavin mononucleotide (FMN)
FMN
ME820421
710
C00061
2390
-
glycerol
Glycerol
ME820437
753
C00116
758
-
indoleacetate
Indoleacetic acid
ME820460
802
C00954
2200
-
inositol hexakisphosphate
-
ME820465
890
C01204
527
-
naringenin
Naringenin
ME820509
932
C00509
3437
-
oxalate (ethanedioate)
Oxalic acid
ME820517
971
C00209
603
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME820328
979
C01179
1690
-
palmitate (16:0)
Palmitic acid
ME820519
985
C00249
5618
-
phenylpyruvate
Phenylpyruvic acid
ME820528
997
C00166
2515
-
phenylacetate
Phenyl acetate
ME820524
999
C07086
2150
-
sulfate*
Sulfate
ME820540
1118
C00059
616
-
thymine
Thymine
ME820555
1135
C00178
1654
-
urate
Uric acid
ME820559
1175
C00366
757.1
-
adenosine-2',3'-cyclic monophosphate
2',3' cyclic AMP
ME820347
2024
C02353
1793
-
azelate (C9-DC)
Azelaic acid
ME820357
2266
C08261
1276
-
caprate (10:0)
Capric acid
ME820367
2969
C01571
5090.7
-
guanosine 3'-monophosphate (3'-GMP)
Guanosine 3'-monophosphate
ME820444
3522
-
773.9
-
indolepropionate
3-Indolepropionic acid
ME820464
3744
-
2795
-
kynurenate
Kynurenic acid
ME820473
3845
C01717
2224
-
phenyllactate (PLA)
Phenyllactic acid
ME820527
3848
C05607
2208
-
laurate (12:0)
Lauric acid
ME820475
3893
C02679
5300
-
saccharin
Saccharin
ME820533
5143
D01085
2000
-
sebacate (C10-DC)
Sebacic acid
ME820534
5192
C08277
1788
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME820485
5255
C12270
575.3
-
stearate (18:0)
Stearic acid
ME820539
5281
C01530
5872
-
thymidine
Thymidine
ME820553
5789
C00214
1963.7
-
uridine
Uridine
ME820560
6029
C00299
1457.6
-
folate
Folic acid
ME820429
6037
C00504
1467
-
adenosine 3',5'-cyclic monophosphate (cAMP)
3',5' cyclic AMP
ME820345
6076
C00575
1952.2
-
histidine
Histidine
ME820454
6274
C00135
755.9
-
valine
Valine
ME820567
6287
C00183
909.4
-
taurocholate
Taurocholic acid
ME820546
6675
C05122
5150
-
pyridoxate
4-Pyridoxic acid
ME820530
6723
C00847
2185
-
guanosine
Guanosine
ME820443
6802
C00387
1662
-
guanosine 5'- monophosphate (5'-GMP)
GMP
ME820445
6804
C00144
653.2
-
5-oxoproline
Pyroglutamic acid
ME820335
7405
C01879
738.5
-
valerate (5:0)
Valeric acid
ME820565
7991
C00803
1718
-
heptanoate (7:0)
Heptylic acid
ME820448
8094
C17714
3670
-
behenate (22:0)*
Behenic acid
ME820358
8215
C08281
6745
-
vanillate
Vanillic acid
ME820569
8468
C06672
1100
-
caproate (6:0)
Caproic acid
ME820368
8892
C01585
2713.7
-
thymidine 5'-monophosphate
TMP
ME820554
9700
C00364
883
-
lithocholate
Lithocholic acid
ME820480
9903
C03990
5372
-
chenodeoxycholate
Chenodeoxycholic acid
ME820371
10133
C02528
5264
-
glycocholate
Glycocholic acid
ME820441
10140
C01921
5163
-
3-formylindole
1H-Indole-3-carboxaldehyde
ME820302
10256
C08493
3709
-
3-indoxyl sulfate
Indoxyl sulfate
ME820316
10258
-
2222.2
-
tyrosol
Tyrosol
ME820556
10393
C06044
2716
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME820297
10394
C01744
1670
-
lactobacillic acid
Lactobacillic acid
ME820474
10417
-
5822
-
isovalerate (i5:0)
Isovaleric acid
ME820471
10430
C08262
1564
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME820450
10459
C19615
4615
-
margarate (17:0)
Margaric acid
ME820482
10465
-
5731
-
16-hydroxypalmitate
Juniperic acid
ME820270
10466
C18218
5236.2
-
arachidate (20:0)
Arachidic acid
ME820355
10467
C06425
6240
-
raffinose
Raffinose
ME820532
10542
C00492
978
-
syringic acid
Syringic acid
ME820541
10742
C10833
1450
-
myristate (14:0)
Myristic acid
ME820483
11005
C06424
5440
-
nonadecanoate (19:0)
Nonadecenoic acid
ME820511
12591
C16535
6068
-
dodecanedioate (C12-DC)
Dodecanedioic acid
ME820402
12736
C02678
2990
-
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME820552
13185
-
3985
-
2'-deoxyuridine
Deoxyuridine
ME820274
13712
C00526
1586
-
pentadecanoate (15:0)
Pentadecylic acid
ME820522
13849
C16537
5521
-
dihydroferulate
Dihydroferulic acid
ME820392
14340
-
1928
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME820256
14900
-
6550
-
pseudouridine
Pseudouridine
ME820529
15047
C02067
1100
-
undecanedioate (C11-DC)
Undecanedioic acid
ME820558
15816
-
2440
-
3-hydroxymyristate
3-Hydroxytetradecanoic acid
ME820309
16064
-
5335
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME820280
21488
-
4840
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME820304
26612
-
4634.7
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME820310
26613
-
3446
-
I-urobilinogen
Mesobilirubinogen
ME820458
26818
C05790
4190
-
ursodeoxycholate
Ursodeoxycholic acid
ME820564
31401
C07880
5055
-
adenosine 3'-monophosphate (3'-AMP)
3'-AMP
ME820346
41211
C01367
1245
-
xanthosine
Xanthosine
ME820573
64959
C01762
1075
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME820234
64960
C07326
802
-
2'-deoxyinosine
Deoxyinosine
ME820273
65058
C05512
1688
-
(3'-5')-cytidylylguanosine
CpG
ME820223
65101
-
1537
-
N-acetylvaline
N-Acetylvaline
ME820498
66789
-
1704
-
N-acetyltyrosine
N-Acetyltyrosine
ME820497
68310
-
1680
-
2-hydroxystearate
2-Hydroxystearic acid
ME820284
69417
C03045
5695
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME820343
69820
-
2300
-
indole-3-carboxylate
Indole-3-carboxylic acid
ME820459
69867
C19837
1710
-
octadecanedioate (C18-DC)
Octadecanedioic acid
ME820514
70095
-
5043
-
1-methylguanine
1-Methylguanine
ME820245
70315
-
1643
-
N-acetylleucine
N-Acetylleucine
ME820489
70912
C02710
2400
-
3-indoleglyoxylic acid
-
ME820315
73863
-
2140
-
phenol sulfate
Phenyl hydrogen sulfate
ME820523
74426
C02180
2156
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME820492
74839
C03519
2597
-
eicosanedioate (C20-DC)
Eicosanedioic acid
ME820404
75502
-
5200.9
-
1-myristoylglycerol (14:0)
MG 16:3
ME820246
79050
C01885
6353.3
-
leucylglycine
Leu-Gly
ME820476
79070
-
2050
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME820351
83697
C03264
1840
-
butyrylglycine
-
ME820366
88412
-
1470
-
1-stearoyl-GPA (18:0)
LPA 18:0/0:0
ME820258
89567
-
5829
-
equol
Equol
ME820410
91469
C14131
4565
-
(3'-5')-cytidylyladenosine
CpA
ME820221
91519
-
1754
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME820525
92258
C04148
2330
-
hyocholate
Hyocholic acid
ME820457
92805
C17649
5046
-
guanosine-2',3'-cyclic monophosphate
2',3' cyclic GMP
ME820446
92823
C06194
1480
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME820282
92836
-
5511.2
-
indolelactate
Indolelactic acid
ME820463
92904
C02043
2286
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME820319
92997
-
5205
-
erythrose
Erythrose
ME820413
94176
C01796
780
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME820307
94216
-
5175
-
(3'-5')-adenylyladenosine*
ApA
ME820217
94231
-
2173
-
12-dehydrocholate
12-Ketochenodeoxycholic acid
ME820267
94235
-
4871
-
(3'-5')-cytidylylcytidine*
CpC
ME820222
94237
-
1472
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME820332
94312
-
1119
-
uridine 3'-monophosphate (3'-UMP)
3'-UMP
ME820561
101543
C01368
750
-
2'-O-methyluridine
2'-O-Methyluridine
ME820275
102212
-
1831
-
(3'-5')-uridylyluridine
UpU
ME820231
102258
-
1688
-
(3'-5')-uridylylguanosine
UpG
ME820230
107394
-
1637
-
(3'-5')-guanylylcytidine
GpC
ME820226
107595
-
1670
-
daidzin (daidzein 7-O-glucoside)
Daidzin
ME820385
107971
C10216
3217
-
(3'-5')-adenylyluridine
ApU
ME820220
112074
-
2002
-
taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME820549
119046
-
5073
-
ethyl beta-glucopyranoside
-
ME820415
121667
-
1519
-
soyasaponin I
Soyasaponin I
ME820536
122097
C08983
5163
-
pyrraline
Pyrraline
ME820531
122228
-
2304
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME820292
123409
-
6400
-
enterodiol
Enterodiol
ME820407
123725
-
4327
-
2-hydroxysebacate
2-Hydroxy-decanedioic acid
ME820283
128458
-
1324
-
N-palmitoylglycine
-
ME820506
151008
-
5580
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME820325
151012
-
1475
-
(12 or 13)-methylmyristate (a15:0 or i15:0)
Isopentadecylic acid
ME820213
151014
-
5499
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME820433
151023
-
1685
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME820306
151492
-
1725
-
N-acetylthreonine
N-Acetylthreonine
ME820495
152204
-
821.6
-
dehydrolithocholate
Dehydrolithocholic acid
ME820386
159623
-
5360
-
3-dehydrocholate
3-Dehydrocholic acid
ME820299
159655
-
5050
-
N-acetyltaurine
N-Acetyltaurine
ME820494
159864
-
800
-
vanillactate
Vanillactic acid
ME820568
160637
-
1625
-
3-dehydrodeoxycholate
3-Ketodeoxycholic acid
ME820300
160738
-
5235
-
hydroquinone sulfate
Quinol sulfate
ME820455
161220
C00530
1395
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME820507
161466
-
2164
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME820277
164623
-
1800
-
6-oxolithocholate
6-Ketolithocholic acid
ME820337
164960
-
5033
-
N6-succinyladenosine
Succinyladenosine
ME820508
165243
-
940
-
1,1-kestotetraose
-
ME820232
166775
-
1381
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME820543
168408
-
4774
-
soyasaponin II
Soyasaponin II
ME820537
171435
C12081
5175
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME820276
181670
-
1677
-
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME820296
187488
-
1294
-
dihydroferulic acid sulfate
Dihydroferulic acid 4-sulfate
ME820393
187489
-
1310
-
2'-deoxyguanosine
Deoxyguanosine
ME820272
187790
C00330
1700
-
7-ketodeoxycholate
7-Ketodeoxycholic acid
ME820341
188292
-
4821
-
1-pentadecanoylglycerol (15:0)
MG 15:0
ME820257
190750
-
6200
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME820279
193484
-
6384
-
cholate
Cholic acid
ME820375
221493
C00695
5165
-
deoxycholate
Deoxycholic acid
ME820387
222528
C04483
5294
-
docosadioate (C22-DC)
Docosanedioic acid
ME820396
244872
C19625
5291.8
-
tyrosylglycine
Tyr-Gly
ME820557
259323
-
1635
-
(3'-5')-uridylyladenosine
UpA
ME820228
273124
-
1871
-
3-hydroxypalmitate
3-Hydroxyhexadecanoic acid
ME820311
301590
-
5476
-
N-acetylisoleucine
N-Acetylisoleucine
ME820487
306109
-
2325
-
isoleucylglycine
Ile-Gly
ME820470
342532
-
1992
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME820544
387316
C05465
5250
-
ethyl alpha-glucopyranoside
-
ME820414
428040
-
1576
-
N-acetyl-beta-glucosaminylamine
N-Acetyl-beta-glucosaminylamine
ME820486
439454
C01239
759
-
uridine-2',3'-cyclic monophosphate
2',3' cyclic UMP
ME820562
439715
C02355
1090
-
N-formylmethionine
N-Formylmethionine
ME820502
439750
C03145
1543.8
-
1-kestose
1-Kestose
ME820238
440080
C03661
1054
-
7-ketolithocholate
7-Ketolithocholic acid
ME820342
444262
-
5082
-
(3'-5')-adenylylguanosine*
ApG
ME820219
444337
-
1980
-
arachidonate (20:4n6)
Arachidonic acid
ME820356
444899
C00219
5535
-
biopterin
Biopterin
ME820362
445040
C06313
1398
-
5-methyluridine (ribothymidine)
Ribothymidine
ME820334
445408
-
1778.1
-
docosahexaenoate (DHA; 22:6n3)
LPC 22:6
ME820397
445580
C06429
5525
-
palmitoleate (16:1n7)
Palmitoleic acid
ME820520
445638
C08362
5475
-
ferulate
trans-Ferulic acid
ME820416
445858
C01494
1755
-
eicosapentaenoate (EPA; 20:5n3)
Eicosapentaenoic acid
ME820405
446284
C06428
5450
-
indoleacetylglycine
N-Indoleacetylglycine
ME820461
446640
-
2610
-
N-acetylmethionine
N-Acetylmethionine
ME820490
448580
C02712
1787
-
pantethine
-
ME820521
452306
C12661
3590
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME820512
514186
-
990
-
isovalerylglycine
Isovalerylglycine
ME820472
546304
-
1950
-
4-hydroxycinnamate
cis-p-Coumaric acid
ME820323
637542
C00811
1457
-
sinapate
Sinapic acid
ME820535
637775
C00482
1973
-
flavin adenine dinucleotide (FAD)
FAD
ME820420
643975
C00016
2425
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME820496
700653
C03137
2630
-
cinnamoylglycine
Cinnamoylglycine
ME820378
709625
-
3127
-
N-formylphenylalanine
N-Formylphenylalanine
ME820503
759256
-
2360
-
phenylacetyltaurine
-
ME820526
2179693
-
2494
-
taurodeoxycholate
Taurodeoxycholic acid
ME820548
2733768
C05463
5257.4
-
4-thiouracil
4-Thiouracil
ME820331
2734394
-
1345
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME820338
3014237
-
965
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME820313
3017884
-
1282
-
7,12-diketolithocholate
7,12-Diketolithocholic acid
ME820339
3080560
-
4215
-
2-oxindole-3-acetate
2-Oxindole-3-acetate
ME820288
3080590
-
2076
-
12-ketolithocholate
12-Ketolithocholic acid
ME820268
3080612
-
5130
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME820340
3081085
C17337
5288.1
-
vanillic acid glycine
-
ME820570
3083688
-
1682
-
alpha-muricholate
alpha-Muricholic acid
ME820352
3083761
C17647
4765
-
heptadecanedioate (C17-DC)
-
ME820447
3083765
-
4869
-
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME820215
3083779
-
5993
-
catechol sulfate
Catechol sulfate
ME820370
3083879
-
1906
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME820253
3300276
-
5570
-
18-methylnonadecanoate (i20:0)
Isoarachidic acid
ME820271
4383090
-
6170
-
3-deoxyoctulosonate
-
ME820301
4636210
-
654.9
-
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME820320
4684006
-
2375
-
valerylglycine
-
ME820566
4737557
-
2071
-
2-hydroxyarachidate*
2-Hydroxyeicosanoic acid
ME820278
5225199
-
5990
-
apigenin
Apigenin
ME820354
5280443
C01477
3845
-
linoleate (18:2n6)
Linoleic acid
ME820477
5280450
C01595
5535
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME820390
5280581
C03242
5596
-
chrysoeriol (3'-O-methylluteolin)
Chrysoeriol
ME820377
5280666
C04293
3870
-
linolenate [alpha or gamma; (18:3n3 or 6)]
gamma-Linolenic acid
ME820478
5280934
C06426
5450
-
genistein
Genistein
ME820434
5280961
C06563
3754
-
erucate (22:1n9)
cis-Erucic acid
ME820412
5281116
C08316
6355.6
-
myristoleate (14:1n5)
Myristoleic acid
ME820484
5281119
C08322
5346.9
-
nervonate (24:1n9)*
Nervonic acid
ME820510
5281120
C08323
6804
-
daidzein
Daidzein
ME820381
5281708
C10208
3566
-
eicosenoate (20:1)
cis-Gondoic acid
ME820406
5282768
C16526
5950
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME820395
5282807
C16533
6034
-
3-hydroxystearate
3-Hydroxystearic acid
ME820314
5282907
-
5674
-
3-hydroxybehenate*
3-Hydroxy behenic acid
ME820303
5282921
-
6290
-
12(13)-EpOME
12(13)-EpOME
ME820265
5283014
C14826
5323
-
linoleoyl ethanolamide
Linoleoyl-EA
ME820479
5283446
-
6150
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME820249
5283468
-
6650
-
1-linoleoylglycerol (18:2)
MG 18:2
ME820244
5283469
-
6477
-
6-beta-hydroxylithocholate
Murideoxycholic acid
ME820336
5283821
C15515
4830
-
isohyodeoxycholate
Isohyodeoxycholic acid
ME820469
5283822
-
4980
-
beta-muricholate
beta-Muricholic acid
ME820361
5283853
C17726
4794
-
cis-4-decenoate (10:1n6)*
4Z-Decenoic acid
ME820379
5312351
-
4890
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME820333
5312378
-
5224
-
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME820551
5312409
-
5292
-
hexadecatrienoate (16:3n3)
7,10,13-Hexadecatrienoic acid
ME820451
5312428
-
5330
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME820262
5312435
-
5555
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME820264
5312513
-
5780
-
2-hydroxynervonate*
Hydroxynervonic acid
ME820281
5312783
-
6345
-
chlorogenate
Chlorogenic acid
ME820374
5315832
-
1732
-
1-linoleoyl-digalactosylglycerol (18:2)*
-
ME820239
5317594
-
5820
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME820287
5319879
-
6500
-
1-linoleoyl-galactosylglycerol (18:2)*
-
ME820240
5320254
-
5966
-
2-linoleoylglycerol (18:2)
MG 18:2
ME820285
5365676
-
6250
-
N-acetylmuramate
N-Acetylmuramic acid
ME820491
5462244
C02713
860
-
1-oleoyl-GPA (18:1)
LPA 18:1/0:0
ME820247
5497152
-
5615
-
adrenate (22:4n6)
Adrenic acid
ME820348
5497181
C16527
5678
-
diosmin (diosmetin 7-rutinoside)
Diosmin
ME820394
5702226
-
3905
-
4-hydroxycinnamate sulfate
4-Hydroxycinnamate sulfate
ME820324
6070438
-
1000
-
ferulic acid 4-sulfate
Ferulic acid 4-sulfate
ME820417
6305574
-
1200
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME820252
6419701
C04036
5600
-
N-linoleoylglycine
-
ME820504
6433346
-
5510
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME820389
6439848
C16525
5730
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME820398
6441454
C16513
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME820399
6441454
C16513
5624.5
-
1-palmitoyl-GPS (16:0)*
LPS 16:0/0:0
ME820255
9547100
-
5572
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME820261
9547101
-
5800
-
10-hydroxystearate
Rosilic acid
ME820263
9561835
-
5370
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME820550
9848818
-
5025
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME820501
9920500
-
858
-
9,10-DiHOME
9,10-DiHOME
ME820344
9966640
C14828
5180
-
12,13-DiHOME
12,13-DiHOME
ME820266
10236635
C14829
5137
-
1-palmitoyl-galactosylglycerol (16:0)*
1-Palmitoyl-galactosylglycerol
ME820251
10413348
-
6161
-
3-hydroxymargaroylglycine
-
ME820308
10545348
-
5555
-
enterolactone
Enterolactone
ME820408
10685477
-
4515
-
isobutyrylglycine
Isobutyrylglycine
ME820468
10855600
-
1420
-
(3'-5')-adenylylcytidine
ApC
ME820218
10875494
-
1920
-
daidzein 7-O-glucuronide
Daidzein 7-O-glucuronide
ME820382
11316354
-
2580
-
hexadecadienoate (16:2n6)
Hexadecadienoic acid
ME820449
13932172
-
5398
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME820432
14253342
-
1600
-
indoleacrylate
Indoleacrylic acid
ME820462
15030923
-
2511
-
2-palmitoyl-GPC (16:0)*
LPC 0:0/16:0
ME820291
15061532
-
6215
-
3-hydroxydodecanedioate*
3-Hydroxy-dodecanedioic acid
ME820305
16663321
-
2252
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME820236
42607465
-
5874
-
dihydrocaffeate sulfate (2)
-
ME820391
49844181
-
930
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME820360
72715786
C20775
530
-
alpha-CEHC glucuronide*
-
ME820349
134819285
-
2616
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME820235
-
-
6285
-
1,2,3-benzenetriol sulfate (2)
-
ME820233
-
-
1709
-
13-HODE + 9-HODE
HODE
ME820269
-
-
5275
-
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME820214
-
-
5695
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME820237
-
-
2844
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME820241
-
-
5483
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME820242
-
-
5516
-
1-linoleoyl-GPI (18:2)*
LPI 18:2/0:0
ME820243
-
-
5494
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME820248
-
-
5610
-
1-palmitoyl-digalactosylglycerol (16:0)*
-
ME820250
-
-
5979
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME820254
-
-
5564
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME820259
-
-
5816
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME820260
-
-
5794
-
2-methylcitrate/homocitrate
Homocitric acid
ME820286
-
-
575
-
(2 or 3)-decenoate (10:1n7 or n8)
Decenoic acid
ME820216
-
-
4990
-
2-palmitoyl-digalactosylglycerol (16:0)*
-
ME820289
-
-
5890
-
2-palmitoyl-galactosylglycerol (16:0)*
-
ME820290
-
-
6060
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME820293
-
-
6350
-
(3'-5')-cytidylyluridine*
CpU
ME820224
-
-
1522
-
(3'-5')-guanylyladenosine*
GpA
ME820225
-
-
1950
-
(3'-5')-guanylyluridine
GpU
ME820227
-
-
1772
-
(3'-5')-uridylylcytidine*
UpC
ME820229
-
-
1591
-
3-acetylphenol sulfate
3-Acetylphenol sulfate
ME820298
-
-
2477
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME820312
-
-
1595.5
-
4-chlorobenzoic acid
4-Chlorobenzoic acid
ME820321
-
-
3015
-
4-hydroxyphenylacetate sulfate
-
ME820327
-
-
867
-
alpha-CEHC glycine*
-
ME820350
-
-
4076
-
ampicillin
Ampicillin
ME820353
-
-
3322
-
branched chain 14:0 dicarboxylic acid**
-
ME820363
-
-
3849
-
branched-chain, straight-chain, or cyclopropyl 12:...
-
ME820364
-
-
5261
-
chenodeoxycholic acid sulfate (1)
Chenodeoxycholic acid sulfate
ME820372
-
-
4531
-
chenodeoxycholic acid sulfate (3)
Chenodeoxycholic acid sulfate
ME820373
-
-
4940
-
cholate sulfate
-
ME820376
-
-
4557
-
daidzein sulfate (1)
-
ME820383
-
-
2843
-
daidzein sulfate (2)
-
ME820384
-
-
3330
-
digalactosylglycerol*
Galactosylglycerol
ME820388
-
-
781
-
docosatrienoate (22:3n6)*
Docosatrienoic acid
ME820400
-
-
5850
-
dodecadienoate (12:2)*
Dodecadienoic acid
ME820401
-
-
5146
-
dodecenedioate (C12:1-DC)*
Traumatic acid
ME820403
-
-
2700
-
enterolactone sulfate
-
ME820409
-
-
3746
-
equol sulfate
-
ME820411
-
-
3630
-
ferulylglycine (1)
-
ME820418
-
-
2239
-
ferulylglycine (2)
-
ME820419
-
-
2172
-
Flavone derivative C26H28O14 (1)*
-
ME820422
-
-
2186
-
Flavone derivative C26H28O14 (2)*
-
ME820423
-
-
2234
-
Flavone derivative C26H28O14 (3)*
-
ME820424
-
-
2289
-
Flavone derivative C26H28O14 (4)*
-
ME820425
-
-
2397
-
Flavone derivative C26H28O14 (5)*
-
ME820426
-
-
2457
-
Flavone derivative C26H28O14 (6)*
-
ME820427
-
-
2510
-
Flavone derivative C26H28O14 (7)*
-
ME820428
-
-
2567
-
fructose 1,6-diphosphate/glucose 1,6-diphosphate/m...
Fructose 1,6-bisphosphate
ME820430
-
-
551
-
gamma-CEHC glycine*
-
ME820431
-
-
3900
-
genistein glucuronide*
-
ME820435
-
-
2895
-
genistein sulfate*
-
ME820436
-
-
3616
-
glycitein glucuronide (2)*
-
ME820438
-
-
2733
-
glycitein sulfate (2)
-
ME820439
-
-
3400
-
glyco-beta-muricholate**
Glyco-beta-muricholic acid
ME820440
-
-
4762
-
glycocholate sulfate
-
ME820442
-
-
4560
-
hexadecenedioate (C16:1-DC)*
-
ME820452
-
-
4380
-
hydroxy-undecanedioate (OH-C11:0-DC)*
-
ME820456
-
-
1482
-
inositol pentakisphosphate
-
ME820466
-
-
522
-
inositol trisphosphate
-
ME820467
-
-
541
-
N-acetylkynurenine (2)
N-Acetylkynurenine
ME820488
-
-
2378
-
N-acetylpyrraline
Dehydroepiandrosterone
ME820493
-
-
2545
-
N-butyryl-isoleucine
-
ME820499
-
-
3425
-
N-butyryl-leucine
-
ME820500
-
-
3470
-
N-linoleoyltaurine*
NATaurine 18:2(9Z,12Z)
ME820505
-
-
5505
-
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME820513
-
-
4676
-
octadecenedioate (C18:1-DC)
-
ME820515
-
-
4875
-
oleate/vaccenate (18:1)
Oleic acid
ME820516
-
-
5655
-
soyasaponin III
Soyasaponin III
ME820538
-
-
5176
-
taurochenodeoxycholic acid (7 or 27)-sulfate
-
ME820545
-
-
4928
-
taurocholenate sulfate*
Taurocholenate sulfate
ME820547
-
-
4750
-
ursocholate
Ursocholic acid
ME820563
-
-
4648
-
vanillic alcohol sulfate
-
ME820571
-
-
1808
-
vanillin sulfate
-
ME820572
-
-
2242
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME820608
48
-
1916
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME820600
49
C00141
911
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME820609
51
C00026
2700
-
2-isopropylmalate
2-Isopropylmalic acid
ME820585
77
C02504
2605
-
3-dehydroshikimate
3-Dehydroshikimate
ME820594
80
C02637
1962
-
adipate (C6-DC)
Adipic acid
ME820604
196
C06104
3000
-
allantoic acid
Allantoic acid
ME820605
203
C00499
2960
-
allantoin
Allantoin
ME820606
204
C02350
1672
-
salicylate
Salicylic acid
ME820676
338
C00805
802
-
pimelate (C7-DC)
Pimelic acid
ME820667
385
C02656
2745
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME820597
441
C01089
1480
-
methylmalonate (MMA)
Methylmalonic acid
ME820652
487
C02170
3078.4
-
lactate
Lactic acid
ME820643
612
C00186
1469
-
dihydroorotate
4,5-Dihydroorotic acid
ME820622
648
C00337
1910
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME820575
677
C04039
1050
-
glutarate (C5-DC)
Glutaric acid
ME820637
743
C00489
2900
-
glycerate
Glyceric acid
ME820638
752
C00258
2070.4
-
hydantoin-5-propionate
Hydantoin-5-propionic acid
ME820641
782
C05565
2080
-
malonate
Malonic acid
ME820645
867
C00383
3447
-
myo-inositol
Myo-inositol
ME820655
892
C00137
3506.3
-
orotate
Orotic acid
ME820663
967
C00295
1638.1
-
pyruvate
Pyruvic acid
ME820669
1060
C00022
1083
-
succinate
Succinic acid
ME820680
1110
C00042
3149
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME820595
1662
C03761
2850
-
gentisate
Gentisic acid
ME820632
3469
C00628
905
-
ribose
Ribose
ME820673
5779
C00121
1508.2
-
mannitol/sorbitol
Sorbitol
ME820649
5780
C00794
2320
-
glucose
Glucose
ME820634
5793
C00031
2342
-
glucose 6-phosphate
Glucose 6-phosphate
ME820635
5958
C00668
4537
-
fructose
Fructose
ME820627
5984
C00095
2065
-
sucrose
Sucrose
ME820682
5988
C00089
3092
-
quinate
Quinic acid
ME820670
6508
C00296
2432.9
-
ribitol
Ribitol
ME820671
6912
C00474
1789.6
-
3,5-dihydroxybenzoic acid
3,5-Dihydroxybenzoic acid
ME820591
7424
-
1500
-
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME820578
9338
-
729
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME820593
9378
C03672
1390.6
-
methylsuccinate
Methylsuccinic acid
ME820653
10349
-
2800
-
suberate (C8-DC)
Suberic acid
ME820679
10457
C08278
2577.6
-
gluconate
Gluconic acid
ME820633
10690
C00257
2922
-
dimethylmalonic acid
Dimethylmalonic acid
ME820623
11686
-
2702
-
ethylmalonate
Ethylmalonic acid
ME820626
11756
-
2785
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME820584
11970
C05852
858.6
-
3-hydroxyphenylacetate
3-Hydroxyphenylacetic acid
ME820598
12122
C05593
1220
-
3-methyladipate
3-Methyladipic acid
ME820601
12292
-
2865
-
homoserine
Homoserine
ME820640
12647
C00263
2875.8
-
tricarballylate
1,2,3-Propanetricarboxylic acid
ME820684
14925
C19806
4200
-
mannose
Mannose
ME820651
18950
C00159
2200
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME820657
65065
C01042
3143
-
arabinose
Arabinose
ME820610
66308
C00216
1804.5
-
2,4,6-trihydroxybenzoate
2,4,6-Trihydroxybenzoic acid
ME820576
66520
-
781
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME820615
69362
-
1149.8
-
galacturonate
Galacturonic acid
ME820631
84740
C08348
3527.2
-
ascorbic acid 2-sulfate
-
ME820613
86484
-
3042
-
N-acetylalanine
N-Acetylalanine
ME820656
88064
C02847
1564.8
-
N2,N6-diacetyllysine
N,N'-Diacetyl-lysine
ME820660
91827
-
1554
-
orotidine
Orotidine
ME820664
92751
-
2250
-
N6-acetyllysine
N6-Acetyllysine
ME820662
92832
C02727
2612.6
-
N2-acetyllysine
N(2)-Acetyllysine
ME820661
92907
C12989
3372.6
-
N-carbamoylaspartate
N-Carbamoylaspartic acid
ME820658
93072
C00438
3800
-
isocitric lactone
Isocitric acid lactone
ME820642
98259
-
2970
-
propionylglycine
Propionylglycine
ME820668
98681
-
1502.5
-
2-O-methylascorbic acid
2-O-Methylascorbic acid
ME820587
99779
-
1512
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME820607
99823
-
1052
-
N-formylanthranilic acid
Formylanthranilic acid
ME820659
101399
C05653
900
-
2-hydroxylignocerate*
Cerebronic acid
ME820583
102430
C17873
710
-
cysteine s-sulfate
Cysteine-S-sulfate
ME820620
115015
C05824
2273
-
galactonate
Galactonic acid
ME820629
128869
C00880
3085
-
xylose
Xylose
ME820685
135191
C00181
1727
-
threonate
Threonic acid
ME820683
151152
C01620
2384
-
3-hydroxyadipate*
3-Hydroxy-adipic acid
ME820596
151913
-
3131
-
gulonate*
Gulonic acid
ME820639
152304
C00257
2750
-
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME820586
161227
C00204
1900
-
3,5-dihydroxyphenylpropionate
-
ME820592
161525
-
1420
-
2,4-dihydroxybutyrate
2,4-Dihydroxybutanoic acid
ME820577
192742
-
1793
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME820580
193530
C02360
3000
-
erythritol
Erythritol
ME820624
222285
C00503
1491
-
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME820574
301941
-
1318
-
cytidine 2',3'-cyclic monophosphate
2',3' cyclic CMP
ME820621
417654
C02354
2368
-
mevalonate
Mevalonic acid
ME820654
439230
C02104
1462
-
pantoate
(R)-Pantoic acid
ME820665
439251
C00522
1100
-
stachyose
Stachyose
ME820678
439531
C01613
5280
-
maltotriose
Maltotriose
ME820648
439586
C01835
4286.4
-
maleate
Maleic acid
ME820644
444266
C01384
2640
-
glucuronate
Glucuronic acid
ME820636
444791
C00191
3233.3
-
fumarate
Fumaric acid
ME820628
444972
C00122
3084
-
maltotetraose
Maltotetraose
ME820647
446495
C02052
5000
-
cis-urocanate
Urocanic acid
ME820618
1549103
-
1195
-
3-methylglutaconate
3E-Methylglutaconic acid
ME820602
1551553
-
2700
-
2-hydroxyheptanoate*
2-Hydroxy enanthoic acid
ME820582
2750949
-
925
-
erythronate*
Erythronic acid
ME820625
2781043
-
2186
-
mannonate*
Mannonic acid
ME820650
3246006
-
2736
-
sedoheptulose
Glucoheptulose
ME820677
5459879
-
2255
-
ribonate
Ribonic acid
ME820672
5460677
C01685
2425
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME820589
10964471
-
1660
-
maltose
Maltose
ME820646
10991489
C00208
3329.4
-
ascorbic acid 3-sulfate*
-
ME820614
11425365
-
2025
-
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME820588
13120901
-
1543
-
galactosylglycerol
Galactosylglycerol
ME820630
16048618
C05401
2518
-
3-hydroxysuberate
3-Hydroxysuberic acid
ME820599
22328017
-
3000
-
2-hydroxy-4-(methylthio)butanoic acid
2-Hydroxy-4-(methylthio)butanoic acid
ME820579
-
-
1065
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME820581
-
-
1258
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME820590
-
-
2204
-
3-methylglutarate/2-methylglutarate
Methylglutaric acid
ME820603
-
-
2832
-
arabitol/xylitol
Arabitol
ME820611
-
-
1932.4
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME820612
-
-
2700
-
caffeic acid sulfate
-
ME820616
-
-
1307
-
chiro-inositol
1D-chiro-Inositol
ME820617
-
C19891
3191.2
-
citraconate/glutaconate
Citraconic acid/Glutaconic acid
ME820619
-
-
2600
-
pentose acid*
Valeric acid
ME820666
-
-
2180
-
ribulonate/xylulonate/lyxonate*
-
ME820674
-
-
2350
-
ribulose/xylulose
Xylulose
ME820675
-
-
1400
-
succinoyltaurine
-
ME820681
-
-
2572
-
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