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Return to study ST002836 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
acetylcarnitine (C2)
CAR 2:0
ME736825
1
C02571
2282
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME736810
43
C02630
958
-
cysteine sulfinic acid
3-Sulfino-alanine
ME736852
109
C00606
597
-
3-ureidopropionate
Ureidopropionic acid
ME736818
111
C02642
875
-
deoxycarnitine
3-Dehydroxycarnitine
ME736859
134
C01181
2052
-
5-aminovalerate
5-Aminopentanoic acid
ME736821
138
C00431
2220
-
adenine
Adenine
ME736826
190
C00147
2221
-
agmatine
Agmatine
ME736829
199
C00179
3057
-
arginine
Arginine
ME736833
232
C00062
2825
-
beta-alanine
beta-Alanine
ME736837
239
C00099
1905
-
betaine
Betaine
ME736838
247
C00719
1064
-
betaine aldehyde
Betaine aldehyde
ME736839
249
C00576
1915
-
cadaverine
Cadaverine
ME736842
273
C01672
3036
-
choline
Choline
ME736845
305
C00114
1961
-
S-methylmethionine
S-Methylmethionine
ME736997
458
C05319
2555
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME736819
500
C01035
2320
-
N-carbamoylputrescine
N-Carbamoylputrescine
ME736951
502
C00436
2015
-
N-methylproline
N-Methyl-proline
ME736956
557
-
1335
-
2-oxoarginine*
2-Oxoarginine
ME736812
558
C03771
1760
-
creatine
Creatine
ME736848
586
C00300
1947
-
creatinine
Creatinine
ME736849
588
C00791
2055
-
cytosine
Cytosine
ME736858
597
C00380
2060
-
glutamate
Glutamic acid
ME736885
611
C00025
1500
-
dimethylglycine
Dimethylglycine
ME736864
673
C01026
1104
-
glycine
Glycine
ME736895
750
C00037
1375
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME736890
754
C00093
580
-
guanidinoacetate
Guanidoacetic acid
ME736899
763
C00581
1937
-
guanine
Guanine
ME736900
764
C00242
2032
-
hydroxymethylpyrimidine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME736906
777
C01279
2207
-
homocysteine
Homocysteine
ME736905
778
C00155
2155
-
hypoxanthine
Hypoxanthine
ME736908
790
C00262
1295
-
pipecolate
Pipecolic acid
ME736984
849
C00408
2200
-
nicotinamide
Niacinamide
ME736970
936
C00153
1942
-
nicotinate
Nicotinic acid
ME736973
938
C00253
1673
-
choline phosphate
Choline phosphate
ME736846
1014
C00588
700
-
picolinate
Picolinic acid
ME736983
1018
C10164
910
-
putrescine
Putrescine
ME736989
1045
C00134
3027
-
pyridoxal
Pyridoxal
ME736990
1050
C00250
2343
-
pyridoxamine
Pyridoxamine
ME736991
1052
C00534
2975
-
phosphate
Phosphoric acid
ME736982
1061
C00009
576
-
quinolinate
Quinolinic acid
ME736993
1066
C03722
845
-
sarcosine
Sarcosine
ME736998
1088
C00213
1280
-
spermidine
Spermidine
ME737001
1102
C00315
3355
-
taurine
Taurine
ME737004
1123
C00245
660
-
thiamin (Vitamin B1)
Thiamine
ME737005
1130
C00378
3050
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME737012
1145
C01104
2100
-
uracil
Uracil
ME737017
1174
C00106
827
-
xanthine
Xanthine
ME737024
1188
C00385
1032
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME736995
1196
C04322
1528
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME736822
1826
C05635
1893
-
N6-methyladenosine
N6-Methyladenosine
ME736966
1869
-
2264
-
dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME736862
1879
C00268
1930
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME736843
2572
-
2085
-
serotonin
Serotonin
ME737000
5202
C00780
2550
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME737011
5570
C01004
1388
-
tyramine
Tyramine
ME737015
5610
C00483
2540
-
xanthurenate
Xanthurenic acid
ME737025
5699
C02470
2236
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME737009
5810
C01157
1064
-
cysteine
Cysteine
ME736851
5862
C00097
1475
-
alanine
Alanine
ME736830
5950
C00041
1700
-
serine
Serine
ME736999
5951
C00065
1239
-
aspartate
Aspartic acid
ME736836
5960
C00049
1165
-
glutamine
Glutamine
ME736887
5961
C00064
1291
-
lysine
Lysine
ME736921
5962
C00047
2850
-
inosine
Inosine
ME736912
6021
C00294
1269
-
uridine 5'-monophosphate (UMP)
UMP
ME737018
6030
C00105
590
-
tyrosine
Tyrosine
ME737016
6057
C00082
2430
-
adenosine 5'-monophosphate (AMP)
AMP
ME736828
6083
C00020
1013
-
cytidine 5'-monophosphate (5'-CMP)
CMP
ME736857
6131
C00055
835
-
methionine
Methionine
ME736924
6137
C00073
2526
-
phenylalanine
Phenylalanine
ME736979
6140
C00079
2878
-
cytidine
Cytidine
ME736856
6175
C00475
2124
-
ornithine
Ornithine
ME736976
6262
C00077
2800
-
asparagine
Asparagine
ME736835
6267
C00152
1225
-
valine
Valine
ME737020
6287
C00183
2479
-
threonine
Threonine
ME737008
6288
C00188
1514
-
tryptophan
Tryptophan
ME737013
6305
C00078
2986
-
isoleucine
Isoleucine
ME736914
6306
C00407
2800
-
pantothenate
Pantothenic acid
ME736978
6613
C00864
1667
-
guanosine
Guanosine
ME736901
6802
C00387
1728
-
citrulline
Citrulline
ME736847
9750
C00327
1520
-
mevalonolactone
Mevalonolactone
ME736927
10428
-
1375
-
carnitine
Carnitine
ME736844
10917
C00318
1978
-
7-methylguanine
7-Methylguanine
ME736824
11361
C02242
2175
-
N-acetylcysteine
N-Acetylcysteine
ME736938
12035
C06809
1416
-
2'-deoxyadenosine 5'-monophosphate
dAMP
ME736805
12599
C00360
1284
-
2-piperidinone
2-Piperidinone
ME736813
12665
-
1675
-
methylphosphate
Methanolphosphate
ME736926
13130
-
544
-
2'-deoxycytidine
Deoxycytidine
ME736806
13711
C00881
2193
-
2'-deoxyadenosine
Deoxyadenosine
ME736804
13730
C00559
2252
-
2'-deoxycytidine 5'-monophosphate
dCMP
ME736807
13945
C00239
975
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME736939
24139
-
715
-
S-methylcysteine
Methylcysteine
ME736996
24417
-
1955
-
N1-methyladenosine
1-Methyladenosine
ME736961
27476
C02494
2120
-
adenosine
Adenosine
ME736827
60961
C00212
2169
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME736815
64956
C05145
2190
-
homocitrulline
Homocitrulline
ME736904
65072
C02427
1908
-
N1-methylinosine
1-Methylinosine
ME736962
65095
-
1430
-
N-acetylserine
N-Acetylserine
ME736949
65249
-
800
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME736869
65254
-
2784
-
N-acetylarginine
N-Acetylarginine
ME736936
67427
C02562
2245
-
cystine
Cystine
ME736855
67678
C00491
2000
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME736886
68662
-
2170
-
N-acetylhistamine
N-Acetylhistamine
ME736943
69602
C05135
2287
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME736959
69698
C05842
1250
-
imidazole propionate
Imidazole propanoate
ME736910
70630
-
2263
-
N-methyl-GABA
4-(Methylamino)butyric acid
ME736953
70703
C15987
2109
-
N-acetylglutamate
N-Acetylglutamic acid
ME736941
70914
C00624
1050
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME736893
71920
C00670
672
-
nicotinamide N-oxide
Nicotinamide N-oxide
ME736971
72661
-
877
-
3-sulfo-L-alanine
Cysteic acid
ME736816
72886
C00506
570
-
pterin
Pterin
ME736988
73000
C00715
1805
-
N-acetylhistidine
N-Acetylhistidine
ME736944
75619
C02997
2065
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME736799
75810
C05828
2064
-
1-methyladenine
1-Methyladenine
ME736801
78821
C02216
2133
-
leucylglycine
Leu-Gly
ME736920
79070
-
2778
-
glycylisoleucine
Gly-Ile
ME736896
88079
-
3002
-
o-Tyrosine
o-Tyrosine
ME736975
91482
-
2772
-
glycylleucine
Gly-Leu
ME736897
92843
C02155
3059
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME736873
92865
C05282
1775
-
thioproline
Thioproline
ME737007
93176
-
1250
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME736883
94340
-
2518
-
4-imidazoleacetate
Imidazoleacetic acid
ME736820
96215
C02835
2055
-
2,8-quinolinediol
Quinoline-2,8-diol
ME736809
97250
C06342
2514
-
glycylvaline
Gly-Val
ME736898
97417
-
2734
-
phenylalanylglycine
Phe-Gly
ME736981
98207
-
2898
-
N-acetylasparagine
N-Acetylasparagine
ME736937
99715
-
785
-
propionylcarnitine (C3)
CAR 3:0
ME736987
107738
C03017
2590
-
hypotaurine
Hypotaurine
ME736907
107812
C00519
724
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME736880
111299
-
2992
-
anserine
Anserine
ME736832
112072
C01262
2924
-
stachydrine
Stachydrine
ME737002
115244
C10172
1440
-
N-acetylputrescine
N-Acetylputrescine
ME736948
122356
C02714
2230
-
fructosyllysine
Fructosyllysine
ME736868
123708
-
2784
-
2-pyrrolidineacetic acid
2-Pyrrolidineacetic acid
ME736814
123784
-
2248
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME736965
123800
-
2500
-
N-glycolylneuraminate
N-Glycoloylneuraminic acid
ME736952
123802
C03410
636
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME736940
123826
C04540
1212
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME736863
123831
C03626
2850
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME736891
123874
C01233
659
-
N1,N12-diacetylspermine
N1,N12-Diacetylspermine
ME736958
132680
C03413
3105
-
N-monomethylarginine
Targinine
ME736957
132862
C03884
2845
-
pyroglutamine*
Pyroglutamine
ME736992
134508
-
1900
-
valylglycine
Val-Gly
ME737022
136487
-
2444
-
proline
Proline
ME736985
145742
C00148
1603
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME736874
150914
C05283
1430
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME736808
150971
-
2411
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME736878
151023
-
2991
-
methionine sulfoxide
Methionine sulfoxide
ME736925
158980
C02989
1272
-
3-ureidoisobutyrate
Ureidoisobutyric acid
ME736817
160663
C05100
1207
-
kynurenine
Kynurenine
ME736916
161166
C00328
2739
-
nicotinate ribonucleoside
D-Ribosylnicotinate
ME736974
161234
C05841
1536
-
N6-methyllysine
N(6)-Methyllysine
ME736967
164795
C02728
2831
-
N6-succinyladenosine
Succinyladenosine
ME736968
165243
-
1930
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME736875
165527
-
1535
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME736892
167572
-
516
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME736913
168379
-
2810
-
biotin
Biotin
ME736840
171548
C00120
2253
-
N-acetylglutamine
N-Acetylglutamine
ME736942
182230
C02716
845
-
N-acetyl-cadaverine
N-Acetylcadaverine
ME736934
189087
-
2385
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME736932
193270
-
2100
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME736933
193270
-
2056
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME736945
193368
-
880
-
leucylalanine
Leu-Ala
ME736918
259321
-
2801
-
alanylleucine
Ala-Leu
ME736831
259583
-
3055
-
tryptophylglycine
Trp-Gly
ME737014
263471
-
2930
-
indolin-2-one
Indolin-2-one
ME736911
321710
C12312
2575
-
N-acetylproline
N-Acetyl-proline
ME736947
322640
-
1695
-
histidylalanine
His-Ala
ME736903
351667
-
3014
-
valylleucine
Val-Leu
ME737023
352039
-
3138
-
ethyl alpha-glucopyranoside
-
ME736866
428040
-
1248
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME736823
439176
C00170
2752
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME736946
439197
C00270
660
-
N-alpha-acetylornithine
N-Acetylornithine
ME736950
439232
C00437
2000
-
formiminoglutamate
Formiminoglutamic acid
ME736867
439233
C00439
1880
-
cystathionine
Cystathionine
ME736850
439258
C02291
2270
-
diaminopimelate
2,6-Diaminopimelic acid
ME736861
439283
C00666
2569
-
pantetheine
Pantetheine
ME736977
439322
C00831
2056
-
cysteinylglycine
Cys-Gly
ME736853
439498
C01419
2132
-
butyrylcarnitine (C4)
CAR 4:0
ME736841
439829
C02862
2860
-
nicotinamide riboside
Nicotinamide riboside
ME736972
439924
C03150
2040
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME736871
440103
-
1986
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME736964
440120
C03793
2825
-
imidazole lactate
Imidazolelactic acid
ME736909
440129
C05568
2040
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME736960
440810
C05843
1260
-
riboflavin (Vitamin B2)
Riboflavin
ME736994
493570
C00255
2292
-
trans-urocanate
Urocanic acid
ME737010
736715
C00785
2285
-
ergothioneine
Ergothioneine
ME736865
3032311
C05570
850
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME736894
3081457
-
577
-
histidine betaine (hercynine)*
Hercynine
ME736902
3083620
-
2094
-
thiamin monophosphate
Thiamine monophosphate
ME737006
3382778
C01081
2378
-
leucylglutamine*
Leu-Gln
ME736919
4305457
-
2620
-
lysylleucine
Lys-Leu
ME736922
4682588
-
3370
-
1-ribosyl-imidazoleacetate*
Imidazoleacetic acid riboside
ME736803
5117448
C05131
2006
-
valylglutamine
Val-Gln
ME737021
5253209
-
2295
-
N-methylalanine
N-Methylalanine
ME736954
5288725
C02721
1580
-
N,N-dimethylalanine
N,N-Dimethylalanine
ME736931
5488191
-
1370
-
phenylalanylalanine
Phe-Ala
ME736980
5488196
-
2909
-
prolylglycine
Pro-Gly
ME736986
6426709
-
2136
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME736915
6426851
-
3085
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME736811
6426901
-
3050
-
valerylcarnitine (C5)
CAR 5:0
ME737019
6426903
-
3112
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME736800
6451814
-
1989
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME736879
7009567
-
2640
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME736884
7015683
-
2700
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME736870
7015685
-
2725
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME736876
7017195
-
2740
-
nicotianamine
(R,S,S)-Nicotianamine
ME736969
9882882
C05324
1800
-
1-methylnicotinamide
1-Methyl nicotinamide
ME736802
10129985
C02918
1940
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME736877
14253342
-
2940
-
malonylcarnitine
CAR DC3:0
ME736923
22833583
-
2086
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME736797
53481617
-
2400
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME737003
71464481
-
2291
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME736882
76078708
-
1750
-
ascorbate (Vitamin C)
Vitamin C
ME736834
-
C00072
770
-
cysteinylglycine disulfide*
Cysteinylglycine disulfide
ME736854
-
-
2547
-
diacetylspermidine*
-
ME736860
-
-
2510
-
gamma-glutamylcitrulline*
-
ME736872
-
-
1644
-
gamma-glutamylserine
gamma-Glu-Ser
ME736881
-
-
1351
-
glutaminylleucine
Gln-Leu
ME736888
-
-
3009
-
glutamyl-meso-diaminopimelate
-
ME736889
-
-
2555
-
leucine
Leucine
ME736917
-
-
2864
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME736796
-
-
3080
-
N2-acetyl,N6-methyllysine
N2-Acetyl,N6-methyllysine
ME736963
-
-
2168
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME736935
-
-
2305
-
N-methylhydroxyproline**
N-Methyl-4-hydroxyproline
ME736955
-
-
1145
-
N,N-dimethyl-5-aminovalerate
N,N-Dimethyl-5-aminovaleric acid
ME736930
-
-
2290
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME736928
-
-
2186
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME736929
-
-
2470
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME736798
-
-
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
ME737133
461
C02990
1425
-
3-ketosphinganine
3-Ketosphinganine
ME737073
631
C02934
1400
-
spermine
Spermine
ME737136
1103
C00750
758
-
alpha-tocopherol acetate
Tocopherol acetate
ME737076
2117
C13202
2702
-
sphinganine
Sphinganine
ME737138
3126
C00836
1413
-
palmitoyl ethanolamide
Palmitoyl-EA
ME737127
4671
C16512
1643
-
protoporphyrin IX
Protoporphyrin
ME737135
4971
C02191
1417
-
alpha-tocopherol
alpha-Tocopherol
ME737075
14985
C02477
2522
-
heme
Heme
ME737094
26945
C00032
1124
-
stearoyl ethanolamide
Stearoyl-EA
ME737151
27902
-
1787
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME737061
86554
-
1525
-
4-cholesten-3-one
Cholestenone
ME737074
91477
C00599
2520
-
delta-tocopherol
delta-Tocopherol
ME737088
92094
C14151
2259
-
phytosphingosine
Phytosphingosine
ME737134
122121
C12144
1367
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME737041
129657
-
2147
-
campesterol
Campesterol
ME737080
173183
C01789
2873
-
beta-sitosterol
Sitosterol
ME737079
222284
C01753
3054
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME737027
452110
-
2365
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME737071
497299
-
1606
-
hexadecasphinganine (d16:0)*
C16 Sphinganine
ME737096
656816
C13915
1300
-
stigmasterol
Stigmasterol
ME737156
5280794
C05442
2875
-
oleoyl ethanolamide
Oleoyl-EA
ME737117
5283454
-
1661
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME737057
5283496
-
2509
-
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)
PG 16:0/18:1
ME737058
5283509
-
3206
-
heptadecasphingosine (d17:1)
C17 Sphingosine
ME737095
5283557
-
1377
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME737115
5283564
-
2893
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME737116
5283565
-
3392
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME737114
5283572
-
3090
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME737054
5287971
-
2160
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME737026
5288075
-
2006
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME737064
5289133
-
2424
-
sphingosine
Sphingosine
ME737150
5353955
C00319
1393
-
D-urobilin
D-Urobilin
ME737087
6276321
C05795
935
-
stearoylcarnitine (C18)
CAR 18:0
ME737154
6426855
-
1485
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME737056
6436017
-
2358
-
oleoylcarnitine (C18:1)
CAR 18:1
ME737123
6441392
-
1423
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME737052
6441886
-
2023
-
stigmastadienone
Spinasterone
ME737155
6442194
-
2688
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME737143
6443882
-
2167
-
sphingadienine
Sphingadienine
ME737137
6449795
-
1350
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME737109
6450015
-
1430
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME737152
6453725
C00550
2400
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*
DG 16:0_18:2
ME737130
9543695
-
3080
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME737055
9546747
-
2275
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME737068
9546749
-
2522
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*
PE 18:1/18:2
ME737045
9546753
-
2270
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*
PE 18:0/22:6
ME737066
9546798
-
2317
-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*
PE 16:0/22:6
ME737053
9546799
-
2119
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME737050
9546800
-
2198
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME737038
9547058
-
2511
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME737072
9547068
-
1626
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME737062
9547069
-
1544
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME737047
9547071
-
1554
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME737128
9939941
-
2168
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME737126
9939965
-
2290
-
N-palmitoyl-phytosphingosine (t18:0/16:0)
Cer 18:0;O3/16:0
ME737112
10506988
-
2632
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME737049
10747814
-
2091
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME737036
10917802
-
1547
-
cholesterol
Cholesterol
ME737086
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
ME737035
11146967
-
2454
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME737141
11433862
-
1998
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME737046
16081932
-
1540
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME737063
16219824
-
2300
-
1-palmitoleoyl-GPC (16:1)*
LPC 16:1/0:0
ME737048
24779461
-
1450
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME737125
71464547
-
1357
-
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME737028
-
-
1566
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME737029
-
-
2154
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME737030
-
-
2270
-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...
PC P-16:0/18:2 or PC O-16:1/18:2
ME737031
-
-
2226
-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...
PE P-16:0/18:2 or PE O-16:1/18:2
ME737032
-
-
2351
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*
PC P-16:0/18:1 or PC O-16:1/18:1
ME737033
-
-
2443
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*
PE P-16:0/18:1 or PE O-16:1/18:1
ME737034
-
-
2600
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME737037
-
-
1558
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME737039
-
-
1649
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*
PC 18:2/20:4
ME737040
-
-
1969
-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*
PC 18:1/22:6
ME737042
-
-
2011
-
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*
PE 18:1/22:6
ME737043
-
-
2119
-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*
PC 18:1_18:2
ME737044
-
-
2165
-
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...
-
ME737051
-
-
2199
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME737059
-
-
2160
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME737060
-
-
2653
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME737065
-
-
2197
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME737067
-
-
2380
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME737069
-
-
2644
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME737070
-
-
2858
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME737077
-
-
1353
-
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME737078
-
-
3083
-
carotene diol (1)
Carotene diol
ME737081
-
-
1720
-
ceramide (d18:1/14:0, d16:1/16:0)*
Cer 36:1;O2
ME737082
-
-
2477
-
ceramide (d18:1/17:0, d17:1/18:0)*
Cer 35:1;O2
ME737083
-
-
3055
-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*
Cer 38:1;O2
ME737084
-
-
3920
-
ceramide (d18:2/24:1, d18:1/24:2)*
Cer 42:3;O2
ME737085
-
-
3858
-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*
DG 34:3
ME737089
-
-
2733
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)*
CAR 20:3
ME737090
-
-
1392
-
eicosanoylsphingosine (d20:1)*
-
ME737091
-
-
1443
-
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME737092
-
-
1484
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME737093
-
-
2384
-
hexadecasphingosine (d16:1)*
C16 Sphingosine
ME737097
-
-
1289
-
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**
-
ME737098
-
-
2056
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME737099
-
-
3437
-
linolenoylcarnitine (C18:3)*
CAR 18:3
ME737100
-
-
1310
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*
DG 18:2_20:4
ME737101
-
-
2590
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*
DG 18:2_20:4
ME737102
-
-
2650
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]...
DG 18:2_22:6
ME737103
-
-
2450
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]...
DG 18:2_22:6
ME737104
-
-
2500
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*
DG 18:2_18:3
ME737105
-
-
2426
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*
DG 18:2_18:3
ME737106
-
-
2478
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME737107
-
-
2720
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*
DG 18:2_18:2
ME737108
-
-
2790
-
margaroylcarnitine (C17)*
CAR 17:0
ME737110
-
-
1424
-
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...
-
ME737111
-
-
2692
-
N-palmitoyl-sphingadienine (d18:2/16:0)*
Cer 18:2;O2/16:0
ME737113
-
-
2490
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*
DG 18:1_20:4
ME737118
-
-
2907
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*
DG 18:1_20:4
ME737119
-
-
2990
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME737120
-
-
3115
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME737121
-
-
3223
-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*
DG 18:1_18:1
ME737122
-
-
3695
-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*
DG 16:1_18:2
ME737124
-
-
2664
-
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*
DG 16:0_18:3
ME737129
-
-
2834
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*
DG 16:0_18:2
ME737131
-
-
3197
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*
DG 16:0_18:1
ME737132
-
C13861
3695
-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...
SM 33:1;O2
ME737139
-
-
2082
-
sphingomyelin (d18:0/18:0, d19:0/17:0)*
SM 36:0;O2
ME737140
-
-
2362
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME737142
-
-
2312
-
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME737144
-
-
2685
-
sphingomyelin (d18:1/20:1, d18:2/20:0)*
SM 38:2;O2
ME737145
-
-
2383
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...
SM 40:2;O2
ME737146
-
-
2666
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME737147
-
-
3033
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME737148
-
-
2002
-
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME737149
-
-
2635
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*
DG 18:0_20:4
ME737153
-
-
3522
-
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
ME737425
45
C02287
610
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME737264
47
C00671
2064.2
-
4-methyl-2-oxopentanoate
Ketoleucine
ME737273
70
C00233
2170
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME737249
91
C11457
1980
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME737265
107
C05629
2860
-
p-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME737406
126
C00633
2040
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME737271
127
C00642
1361
-
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME737268
135
C00156
820
-
benzoate
Benzoic acid
ME737293
243
C00180
1750
-
butyrate (4:0)
Butyric acid
ME737297
264
C00246
1062
-
citrate
Citric acid
ME737308
311
C00158
582
-
4-hydroxymandelate
4-Hydroxymandelic acid
ME737270
328
C03198
772.7
-
caprylate (8:0)
Caprylic acid
ME737300
379
C06423
4362
-
hippurate
Hippuric acid
ME737351
464
C01586
2106.9
-
4-methylthio-2-oxobutanoate
2-Oxo-4-methylthiobutanoic acid
ME737274
473
C01180
1635
-
malate
Malic acid
ME737371
525
C00149
615.6
-
flavin mononucleotide (FMN)
FMN
ME737335
710
C00061
2390
-
glycerol
Glycerol
ME737338
753
C00116
758
-
indoleacetate
Indoleacetic acid
ME737357
802
C00954
2200
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME737272
979
C01179
1690
-
palmitate (16:0)
Palmitic acid
ME737407
985
C00249
5618
-
phenylpyruvate
Phenylpyruvic acid
ME737415
997
C00166
2515
-
phenylacetate
Phenyl acetate
ME737412
999
C07086
2150
-
sulfate*
Sulfate
ME737423
1118
C00059
616
-
thymine
Thymine
ME737439
1135
C00178
1654
-
urate
Uric acid
ME737445
1175
C00366
757.1
-
2-hydroxymyristate
2-Hydroxymyristic acid
ME737233
1563
C13790
5364
-
azelate (C9-DC)
Azelaic acid
ME737292
2266
C08261
1276
-
DIMBOA
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
ME737318
2358
C04720
2165
-
caprate (10:0)
Capric acid
ME737298
2969
C01571
5090.7
-
kynurenate
Kynurenic acid
ME737363
3845
C01717
2224
-
phenyllactate (PLA)
Phenyllactic acid
ME737414
3848
C05607
2208
-
laurate (12:0)
Lauric acid
ME737366
3893
C02679
5300
-
sebacate (C10-DC)
Sebacic acid
ME737419
5192
C08277
1788
-
stearate (18:0)
Stearic acid
ME737420
5281
C01530
5872
-
thymidine
Thymidine
ME737437
5789
C00214
1963.7
-
uridine
Uridine
ME737446
6029
C00299
1457.6
-
histidine
Histidine
ME737352
6274
C00135
755.9
-
taurocholate
Taurocholic acid
ME737428
6675
C05122
5150
-
pyridoxate
4-Pyridoxic acid
ME737418
6723
C00847
2185
-
5-oxoproline
Pyroglutamic acid
ME737279
7405
C01879
738.5
-
valerate (5:0)
Valeric acid
ME737448
7991
C00803
1718
-
heptanoate (7:0)
Heptylic acid
ME737345
8094
C17714
3670
-
undecanoate (11:0)
Undecylic acid
ME737444
8180
C17715
5219.2
-
caproate (6:0)
Caproic acid
ME737299
8892
C01585
2713.7
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME737250
9378
C03672
1379
-
thymidine 5'-monophosphate
TMP
ME737438
9700
C00364
883
-
lithocholate
Lithocholic acid
ME737370
9903
C03990
5372
-
chenodeoxycholate
Chenodeoxycholic acid
ME737301
10133
C02528
5264
-
3-indoxyl sulfate
Indoxyl sulfate
ME737263
10258
-
2222.2
-
tyrosol
Tyrosol
ME737441
10393
C06044
2716
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME737251
10394
C01744
1670
-
lactobacillic acid
Lactobacillic acid
ME737365
10417
-
5822
-
isovalerate (i5:0)
Isovaleric acid
ME737361
10430
C08262
1564
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME737347
10459
C19615
4615
-
margarate (17:0)
Margaric acid
ME737373
10465
-
5731
-
16-hydroxypalmitate
Juniperic acid
ME737221
10466
C18218
5236.2
-
arachidate (20:0)
Arachidic acid
ME737290
10467
C06425
6240
-
taurolithocholate
Taurolithocholic acid
ME737432
10595
C02592
5345
-
myristate (14:0)
Myristic acid
ME737375
11005
C06424
5440
-
nonadecanoate (19:0)
Nonadecenoic acid
ME737399
12591
C16535
6068
-
dodecanedioate (C12-DC)
Dodecanedioic acid
ME737324
12736
C02678
2990
-
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME737435
13185
-
3985
-
2'-deoxyuridine
Deoxyuridine
ME737225
13712
C00526
1586
-
pentadecanoate (15:0)
Pentadecylic acid
ME737410
13849
C16537
5521
-
dihydroferulate
Dihydroferulic acid
ME737317
14340
-
1928
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME737207
14900
-
6550
-
tricarballylate
1,2,3-Propanetricarboxylic acid
ME737440
14925
C19806
578
-
pseudouridine
Pseudouridine
ME737417
15047
C02067
1100
-
undecanedioate (C11-DC)
Undecanedioic acid
ME737443
15816
-
2440
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME737259
26613
-
3446
-
I-urobilinogen
Mesobilirubinogen
ME737355
26818
C05790
4190
-
13-HODE + 9-HODE
HODE
ME737220
43013
-
5275
-
xanthosine
Xanthosine
ME737450
64959
C01762
1075
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME737172
64960
C07326
802
-
2'-deoxyinosine
Deoxyinosine
ME737224
65058
C05512
1688
-
(3'-5')-cytidylylguanosine
CpG
ME737165
65101
-
1537
-
N-acetylvaline
N-Acetylvaline
ME737387
66789
-
1704
-
phenylacetylglycine
Phenylacetylglycine
ME737413
68144
C05598
2375
-
N-acetyltyrosine
N-Acetyltyrosine
ME737386
68310
-
1680
-
2-hydroxystearate
2-Hydroxystearic acid
ME737237
69417
C03045
5695
-
indole-3-carboxylate
Indole-3-carboxylic acid
ME737356
69867
C19837
1710
-
octadecanedioate (C18-DC)
Octadecanedioic acid
ME737401
70095
-
5043
-
N-acetylleucine
N-Acetylleucine
ME737379
70912
C02710
2400
-
3-indoleglyoxylic acid
-
ME737262
73863
-
2140
-
phenol sulfate
Phenyl hydrogen sulfate
ME737411
74426
C02180
2156
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME737382
74839
C03519
2597
-
eicosanedioate (C20-DC)
Eicosanedioic acid
ME737326
75502
-
5200.9
-
1-myristoylglycerol (14:0)
MG 16:3
ME737196
79050
C01885
6353.3
-
1-stearoyl-GPA (18:0)
LPA 18:0/0:0
ME737209
89567
-
5829
-
N2,N6-diacetyllysine
N,N'-Diacetyl-lysine
ME737395
91827
-
1604
-
hyocholate
Hyocholic acid
ME737354
92805
C17649
5046
-
guanosine-2',3'-cyclic monophosphate
2',3' cyclic GMP
ME737342
92823
C06194
1480
-
N6-acetyllysine
N6-Acetyllysine
ME737397
92832
C02727
1059
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME737235
92836
-
5511.2
-
indolelactate
Indolelactic acid
ME737358
92904
C02043
2286
-
N2-acetyllysine
N(2)-Acetyllysine
ME737396
92907
C12989
828.3
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME737266
92997
-
5205
-
3-hydroxymargarate
-
ME737257
93220
-
5577
-
erythrose
Erythrose
ME737332
94176
C01796
780
-
(3'-5')-adenylyladenosine*
ApA
ME737160
94231
-
2173
-
12-dehydrocholate
12-Ketochenodeoxycholic acid
ME737217
94235
-
4871
-
(3'-5')-cytidylylcytidine*
CpC
ME737164
94237
-
1472
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME737276
94312
-
1119
-
hexanoylglycine
Hexanoylglycine
ME737350
99463
-
2900
-
2'-O-methyluridine
2'-O-Methyluridine
ME737226
102212
-
1831
-
(3'-5')-uridylyluridine
UpU
ME737171
102258
-
1688
-
1-margaroylglycerol (17:0)
MG 17:0
ME737193
107036
-
6571
-
(3'-5')-uridylylguanosine
UpG
ME737170
107394
-
1637
-
(3'-5')-guanylylcytidine
GpC
ME737167
107595
-
1670
-
(3'-5')-adenylyluridine
ApU
ME737163
112074
-
2002
-
cysteine s-sulfate
Cysteine-S-sulfate
ME737309
115015
C05824
640.9
-
taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME737431
119046
-
5073
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME737246
123409
-
6400
-
enterodiol
Enterodiol
ME737329
123725
-
4327
-
2-hydroxysebacate
2-Hydroxy-decanedioic acid
ME737236
128458
-
1324
-
gamma-CEHC
gamma-CEHC
ME737336
133098
-
3843
-
2-myristoylglycerol (14:0)
MG 0:0/14:0/0:0
ME737240
137938
-
6230
-
N-palmitoylglycine
N-Palmitoyl glycine
ME737393
151008
-
5580
-
(12 or 13)-methylmyristate (a15:0 or i15:0)
Isopentadecylic acid
ME737157
151014
-
5499
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME737256
151492
-
1725
-
N-acetylthreonine
N-Acetylthreonine
ME737385
152204
-
821.6
-
p-cresol glucuronide*
P-Cresol glucuronide
ME737404
154035
-
2420
-
dehydrolithocholate
Dehydrolithocholic acid
ME737311
159623
-
5360
-
3-dehydrocholate
3-Dehydrocholic acid
ME737252
159655
-
5050
-
N-acetyltaurine
N-Acetyltaurine
ME737384
159864
-
800
-
3-dehydrodeoxycholate
3-Ketodeoxycholic acid
ME737253
160738
-
5235
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME737230
164623
-
1800
-
6-oxolithocholate
6-Ketolithocholic acid
ME737281
164960
-
5033
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME737267
165511
C17333
5398
-
N-stearoyltaurine
NA-Taurine 18:0
ME737394
168274
-
5782
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME737426
168408
-
4774
-
2'-deoxyguanosine
Deoxyguanosine
ME737223
187790
C00330
1700
-
7-ketodeoxycholate
7-Ketodeoxycholic acid
ME737284
188292
-
4821
-
1-pentadecanoylglycerol (15:0)
MG 15:0
ME737208
190750
-
6200
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME737232
193484
-
6384
-
cholate
Cholic acid
ME737304
221493
C00695
5165
-
deoxycholate
Deoxycholic acid
ME737312
222528
C04483
5294
-
tyrosylglycine
Tyr-Gly
ME737442
259323
-
1635
-
3-hydroxypalmitate
3-Hydroxyhexadecanoic acid
ME737260
301590
-
5476
-
N-acetylisoleucine
N-Acetylisoleucine
ME737378
306109
-
2325
-
isoleucylglycine
Ile-Gly
ME737360
342532
-
1992
-
dihydrocaffeate
3,4-Dihydroxyhydrocinnamic acid
ME737316
348154
C10447
1430
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME737427
387316
C05465
5250
-
N-acetyl-beta-glucosaminylamine
N-Acetyl-beta-glucosaminylamine
ME737377
439454
C01239
759
-
maltotriose
Maltotriose
ME737372
439586
C01835
812
-
N-formylmethionine
N-Formylmethionine
ME737389
439750
C03145
1543.8
-
tartarate
Tartaric acid
ME737424
444305
C00898
615.3
-
(3'-5')-adenylylguanosine*
ApG
ME737162
444337
-
1980
-
arachidonate (20:4n6)
Arachidonic acid
ME737291
444899
C00219
5535
-
biopterin
Biopterin
ME737295
445040
C06313
1398
-
5-methyluridine (ribothymidine)
Ribothymidine
ME737278
445408
-
1778.1
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME737320
445580
C06429
5525
-
palmitoleate (16:1n7)
Palmitoleic acid
ME737408
445638
C08362
5475
-
ferulate
trans-Ferulic acid
ME737333
445858
C01494
1755
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME737327
446284
C06428
5450
-
N-acetylmethionine
N-Acetylmethionine
ME737380
448580
C02712
1787
-
pantethine
-
ME737409
452306
C12661
3590
-
isovalerylglycine
Isovalerylglycine
ME737362
546304
-
1950
-
4-hydroxycinnamate
cis-p-Coumaric acid
ME737269
637542
C00811
1457
-
flavin adenine dinucleotide (FAD)
FAD
ME737334
643975
C00016
2425
-
cinnamoylglycine
Cinnamoylglycine
ME737306
709625
-
3127
-
N-formylphenylalanine
N-Formylphenylalanine
ME737390
759256
-
2360
-
taurodeoxycholate
Taurodeoxycholic acid
ME737429
2733768
C05463
5257.4
-
4-thiouracil
4-Thiouracil
ME737275
2734394
-
1345
-
glycodeoxycholate
Glycodeoxycholic acid
ME737341
3035026
C05464
5281
-
7,12-diketolithocholate
7,12-Diketolithocholic acid
ME737282
3080560
-
4215
-
2-oxindole-3-acetate
2-Oxindole-3-acetate
ME737242
3080590
-
2076
-
12-ketolithocholate
12-Ketolithocholic acid
ME737219
3080612
-
5130
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME737283
3081085
C17337
5288.1
-
alpha-muricholate
alpha-Muricholic acid
ME737289
3083761
C17647
4765
-
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME737159
3083779
-
5993
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME737204
3300276
-
5570
-
threonylphenylalanine
Thr-Phe
ME737436
4099799
-
2322
-
18-methylnonadecanoate (i20:0)
Isoarachidic acid
ME737222
4383090
-
6170
-
p-cresol sulfate
p-Cresol sulfate
ME737405
4615423
-
2890
-
3-deoxyoctulosonate
-
ME737254
4636210
-
654.9
-
valerylglycine
Valerylglycine
ME737449
4737557
-
2071
-
2-hydroxyarachidate*
2-Hydroxyeicosanoic acid
ME737231
5225199
-
5990
-
prostaglandin F2alpha
PGF2alpha
ME737416
5280363
C00639
4658
-
linoleate (18:2n6)
Linoleic acid
ME737367
5280450
C01595
5535
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME737315
5280581
C03242
5596
-
L-urobilin
L-Urobilin
ME737364
5280818
C05793
4624
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME737368
5280934
C06426
5450
-
genistein
Genistein
ME737337
5280961
C06563
3754
-
erucate (22:1n9)
cis-Erucic acid
ME737331
5281116
C08316
6355.6
-
myristoleate (14:1n5)
Myristoleic acid
ME737376
5281119
C08322
5346.9
-
daidzein
Daidzein
ME737310
5281708
C10208
3566
-
2-arachidonoylglycerol (20:4)
MG 20:4
ME737227
5282280
C13856
6170
-
1-arachidonylglycerol (20:4)
MG 20:4
ME737176
5282281
C13857
6250
-
eicosenoate (20:1)
cis-Gondoic acid
ME737328
5282768
C16526
5950
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME737319
5282807
C16533
6034
-
3-hydroxystearate
3-Hydroxystearic acid
ME737261
5282907
-
5674
-
3-hydroxybehenate*
3-Hydroxy behenic acid
ME737255
5282921
-
6290
-
linoleoyl ethanolamide
Linoleoyl-EA
ME737369
5283446
-
6150
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME737200
5283468
-
6650
-
1-linoleoylglycerol (18:2)
MG 18:2
ME737192
5283469
-
6477
-
6-beta-hydroxylithocholate
Murideoxycholic acid
ME737280
5283821
C15515
4830
-
isohyodeoxycholate
Isohyodeoxycholic acid
ME737359
5283822
-
4980
-
beta-muricholate
beta-Muricholic acid
ME737294
5283853
C17726
4794
-
cis-4-decenoate (10:1n6)*
4Z-Decenoic acid
ME737307
5312351
-
4890
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME737277
5312378
-
5224
-
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME737434
5312409
-
5292
-
hexadecatrienoate (16:3n3)
7,10,13-Hexadecatrienoic acid
ME737348
5312428
-
5330
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME737213
5312435
-
5555
-
stearidonate (18:4n3)
Stearidonic acid
ME737421
5312508
C16300
5395
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME737215
5312513
-
5780
-
mead acid (20:3n9)
ETrE(5Z,8Z,11Z)
ME737374
5312531
-
5650
-
2-hydroxynervonate*
Hydroxynervonic acid
ME737234
5312783
-
6345
-
12-HETE
12-HETE
ME737218
5312983
-
5326
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME737241
5319879
-
6500
-
2-linoleoylglycerol (18:2)
MG 18:2
ME737238
5365676
-
6250
-
1-methyl-beta-carboline-3-carboxylic acid
-
ME737195
5406157
-
3190
-
N-acetylmuramate
N-Acetylmuramic acid
ME737381
5462244
C02713
860
-
N-acetylsphingosine
Cer 18:1;O2/2:0
ME737383
5497136
C00195
6000
-
adrenate (22:4n6)
Adrenic acid
ME737288
5497181
C16527
5678
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME737203
6419701
C04036
5600
-
N-oleoyltaurine
NA-Taurine 18:1(9Z)
ME737392
6437033
-
5610
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME737314
6439848
C16525
5730
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME737321
6441454
C16513
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME737322
6441454
C16513
5624.5
-
1-oleoyl-GPS (18:1)
LPS 18:1/0:0
ME737199
9547099
-
5607
-
1-palmitoyl-GPS (16:0)*
LPS 16:0/0:0
ME737206
9547100
-
5572
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME737212
9547101
-
5800
-
10-hydroxystearate
Rosilic acid
ME737214
9561835
-
5370
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME737433
9848818
-
5025
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME737388
9920500
-
858
-
9,10-DiHOME
9,10-DiHOME
ME737285
9966640
C14828
5180
-
12,13-DiHOME
12,13-DiHOME
ME737216
10236635
C14829
5137
-
1-palmitoyl-galactosylglycerol (16:0)*
1-Palmitoyl-galactosylglycerol
ME737202
10413348
-
6161
-
3-hydroxymargaroylglycine
-
ME737258
10545348
-
5555
-
enterolactone
Enterolactone
ME737330
10685477
-
4515
-
(3'-5')-adenylylcytidine
ApC
ME737161
10875494
-
1920
-
nisinate (24:6n3)
THA
ME737398
11792612
-
5657
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME737188
11988421
C04100
6160
-
heneicosapentaenoate (21:5n3)
6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid
ME737343
11998573
-
5514
-
2-palmitoyl-GPC (16:0)*
LPC 0:0/16:0
ME737245
15061532
-
6215
-
heptadecatrienoate (17:3)*
Heptadecatrienoic acid
ME737344
16061034
C16344
5390
-
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME737158
17903417
-
5695
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME737174
42607465
-
5874
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME737189
52925130
-
5900
-
1-linolenoylglycerol (18:3)
MG 18:3
ME737186
53480978
-
6214
-
1-arachidonoyl-GPC (20:4n6)*
LPC 20:4/0:0
ME737173
-
C05208
6074
-
1-arachidonoyl-GPI (20:4)*
LPI 20:4/0:0
ME737175
-
-
5482
-
1-carboxyethylisoleucine
1-Carboxyethylisoleucine
ME737177
-
-
2628
-
1-carboxyethylleucine
1-Carboxyethylleucine
ME737178
-
-
2663
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME737179
-
-
2844
-
1-carboxyethyltyrosine
1-Carboxyethyltyrosine
ME737180
-
-
1846
-
1-carboxyethylvaline
1-Carboxyethylvaline
ME737181
-
-
2008
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME737182
-
-
6400
-
1-dihomo-linoleoylglycerol (20:2)
MG 20:2
ME737183
-
-
6800
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME737184
-
-
6150
-
1-heptadecenoylglycerol (17:1)*
MG 17:1/0:0/0:0
ME737185
-
-
6390
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME737187
-
-
5483
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME737190
-
-
5516
-
1-linoleoyl-GPI (18:2)*
LPI 18:2/0:0
ME737191
-
-
5494
-
1-meadoylglycerol (20:3n9)*
MG 20:3/0:0/0:0
ME737194
-
-
6450
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME737197
-
-
5610
-
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME737198
-
-
5599
-
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME737201
-
-
6094
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME737205
-
-
5564
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME737210
-
-
5816
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME737211
-
-
5794
-
2-dihomo-linoleoylglycerol (20:2)*
-
ME737228
-
-
6700
-
2-heptadecenoylglycerol (17:1)*
MG 0:0/17:1/0:0
ME737229
-
-
6284
-
2-methylcitrate/homocitrate
Homocitric acid
ME737239
-
-
575
-
2-palmitoleoylglycerol (16:1)*
MG 16:1
ME737243
-
-
6016
-
2-palmitoyl-galactosylglycerol (16:0)*
-
ME737244
-
-
6060
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME737247
-
-
6350
-
3,4-methylene heptanoylglycine
-
ME737248
-
-
3818
-
(3'-5')-cytidylyluridine*
CpU
ME737166
-
-
1522
-
(3'-5')-guanylyluridine
GpU
ME737168
-
-
1772
-
(3'-5')-uridylylcytidine*
UpC
ME737169
-
-
1591
-
9,10-DiHOME sulfate
-
ME737286
-
-
4565
-
aconitate [cis or trans]
cis-Aconitic acid
ME737287
-
-
580
-
branched chain 14:0 dicarboxylic acid**
-
ME737296
-
-
3849
-
chenodeoxycholic acid sulfate (1)
Chenodeoxycholic acid sulfate
ME737302
-
-
4531
-
chenodeoxycholic acid sulfate (3)
Chenodeoxycholic acid sulfate
ME737303
-
-
4940
-
cholate sulfate
-
ME737305
-
-
4557
-
digalactosylglycerol*
Galactosylglycerol
ME737313
-
-
781
-
docosatrienoate (22:3n6)*
10Z,13Z,16Z-Docosatrienoic acid
ME737323
-
-
5850
-
dodecenedioate (C12:1-DC)*
Traumatic acid
ME737325
-
-
2700
-
glyco-beta-muricholate**
Gly-betaMCA
ME737339
-
-
4762
-
glycocholate sulfate
-
ME737340
-
-
4560
-
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME737346
-
-
5398
-
hexadecenedioate (C16:1-DC)*
-
ME737349
-
-
4380
-
hydroxy-undecanedioate (OH-C11:0-DC)*
-
ME737353
-
-
1482
-
N-linoleoyltaurine*
NA-Taurine 18:2(9Z,12Z)
ME737391
-
-
5505
-
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME737400
-
-
4676
-
octadecenedioate (C18:1-DC)*
-
ME737402
-
-
4875
-
oleate/vaccenate (18:1)
Oleic acid
ME737403
-
-
5655
-
STVLT
-
ME737422
-
-
2692
-
taurohyocholate*
Taurohyocholic acid
ME737430
-
-
5000
-
ursocholate
Ursocholic acid
ME737447
-
-
4648
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME737466
49
C00141
911
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME737472
51
C00026
2700
-
2-isopropylmalate
2-Isopropylmalic acid
ME737456
77
C02504
2605
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME737462
87
C06001
1619
-
allantoin
Allantoin
ME737468
204
C02350
1672
-
salicylate
Salicylic acid
ME737516
338
C00805
802
-
pimelate (C7-DC)
Pimelic acid
ME737509
385
C02656
2745
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME737461
441
C01089
1480
-
methylmalonate (MMA)
Methylmalonic acid
ME737498
487
C02170
3078.4
-
lactate
Lactic acid
ME737494
612
C00186
1468.8
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME737451
677
C04039
1050
-
glutarate (C5-DC)
Glutaric acid
ME737489
743
C00489
2900
-
glycerate
Glyceric acid
ME737490
752
C00258
2070.4
-
myo-inositol
Myo-inositol
ME737501
892
C00137
3506.3
-
orotate
Orotic acid
ME737506
967
C00295
1638.1
-
pyruvate
Pyruvic acid
ME737510
1060
C00022
1083
-
succinate
Succinic acid
ME737519
1110
C00042
3149
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME737460
1662
C03761
2850
-
ribose
Ribose
ME737513
5779
C00121
1508.2
-
mannitol/sorbitol
Sorbitol
ME737496
5780
C00794
2320
-
glucose
Glucose
ME737486
5793
C00031
2342
-
glucose 6-phosphate
Glucose 6-phosphate
ME737487
5958
C00668
4537
-
fructose
Fructose
ME737480
5984
C00095
2065
-
sucrose
Sucrose
ME737522
5988
C00089
3092
-
quinate
Quinic acid
ME737511
6508
C00296
2432.9
-
methylsuccinate
Methylsuccinic acid
ME737499
10349
-
2800
-
suberate (C8-DC)
Suberic acid
ME737518
10457
C08278
2577.6
-
gluconate
Gluconic acid
ME737485
10690
C00257
2922
-
succinimide
Succinimide
ME737520
11439
C07273
2155
-
dimethylmalonic acid
Dimethylmalonic acid
ME737477
11686
-
2702
-
ethylmalonate
Ethylmalonic acid
ME737479
11756
-
2785
-
galactitol (dulcitol)
Galactitol
ME737483
11850
C01697
2360
-
homoserine
Homoserine
ME737492
12647
C00263
2875.8
-
fucose
Fucose
ME737481
17106
C01018
1626.4
-
mannose
Mannose
ME737497
18950
C00159
2200
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME737503
65065
C01042
3143
-
arabinose
Arabinose
ME737473
66308
C00216
1804.5
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME737476
69362
-
1149.8
-
N-acetylalanine
N-Acetylalanine
ME737502
88064
C02847
1564.8
-
orotidine
Orotidine
ME737507
92751
-
2250
-
N-carbamoylaspartate
N-Carbamoylaspartic acid
ME737504
93072
C00438
3800
-
allo-threonine
Allothreonine
ME737469
99289
C05519
2511.1
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME737470
99823
-
1052
-
N-formylanthranilic acid
Formylanthranilic acid
ME737505
101399
C05653
900
-
2-hydroxylignocerate*
Cerebronic acid
ME737455
102430
C17873
710
-
3-hydroxyvalerate
3-Hydroxyvaleric acid
ME737465
107802
-
1241
-
galactonate
Galactonic acid
ME737484
128869
C00880
3085
-
xylose
Xylose
ME737524
135191
C00181
1727
-
threonate
Threonic acid
ME737523
151152
C01620
2384
-
mevalonate
Mevalonic acid
ME737500
439230
C02104
1462
-
pantoate
(R)-Pantoic acid
ME737508
439251
C00522
1100
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME737491
439964
C03274
2430
-
inositol 1-phosphate (I1P)
Inositol 3-phosphate
ME737493
440194
C01177
4785
-
glucuronate
Glucuronic acid
ME737488
444791
C00191
3233.3
-
fumarate
Fumaric acid
ME737482
444972
C00122
3084
-
2-hydroxyheptanoate*
2-Hydroxy enanthoic acid
ME737454
2750949
-
925
-
erythronate*
Erythronic acid
ME737478
2781043
-
2186
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME737467
3014237
-
1692
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME737463
3017884
-
2411
-
ribulose/xylulose
-
ME737515
5289590
-
1400
-
sedoheptulose
Glucoheptulose
ME737517
5459879
-
2255
-
ribonate
Ribonic acid
ME737512
5460677
C01685
2425
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME737458
10964471
-
1660
-
maltose
Maltose
ME737495
10991489
C00208
3329.4
-
ascorbic acid 3-sulfate*
-
ME737475
11425365
-
2025
-
3-hydroxysuberate
3-Hydroxysuberic acid
ME737464
22328017
-
3000
-
2-hydroxy-4-(methylthio)butanoic acid
2-Hydroxy-4-(methylthio)butanoic acid
ME737452
-
-
1065
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME737453
-
-
1258
-
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME737457
-
-
1543
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME737459
-
-
2204
-
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME737471
-
-
1916
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME737474
-
-
2700
-
ribulonate/xylulonate/lyxonate*
-
ME737514
-
-
2350
-
succinoyltaurine
-
ME737521
-
-
2572
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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