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Return to study ST003132 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
N-acetylcitrulline
N-Acetylcitrulline
ME820856
656979
C15532
1010
-
adenosine 5'-monophosphate (AMP)
AMP
ME820734
6083
C00020
1013
-
xanthine
Xanthine
ME820939
1188
C00385
1032
-
N-acetylglutamate
N-Acetylglutamic acid
ME820860
70914
C00624
1050
-
betaine
Betaine
ME820749
247
C00719
1064
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME820928
5810
C01157
1064
-
dimethylglycine
Dimethylglycine
ME820779
673
C01026
1104
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME820720
439902
C03079
1141
-
4-hydroxybutyrate (GHB)
4-Hydroxybutyric acid
ME820719
10413
C00989
1148
-
aspartate
Aspartic acid
ME820745
5960
C00049
1165
-
3-ureidoisobutyrate
Ureidoisobutyric acid
ME820716
160663
C05100
1207
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME820859
123826
C04540
1212
-
asparagine
Asparagine
ME820744
6267
C00152
1225
-
serine
Serine
ME820917
5951
C00065
1239
-
methionine sulfone
Methionine sulfone
ME820843
69961
-
1250
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME820875
69698
C05842
1250
-
thioproline
Thioproline
ME820925
93176
-
1250
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME820876
440810
C05843
1260
-
methionine sulfoxide
Methionine sulfoxide
ME820844
158980
C02989
1272
-
sarcosine
Sarcosine
ME820916
1088
C00213
1280
-
glutamine
Glutamine
ME820804
5961
C00064
1291
-
N-methylproline
N-Methyl-proline
ME820873
557
-
1335
-
gamma-glutamylserine
gamma-Glu-Ser
ME820797
-
-
1351
-
N,N-dimethylalanine
N,N-Dimethylalanine
ME820850
5488191
-
1370
-
glycine
Glycine
ME820813
750
C00037
1375
-
mevalonolactone
Mevalonolactone
ME820847
10428
-
1375
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME820930
5570
C01004
1388
-
N-acetylcysteine
N-Acetylcysteine
ME820857
12035
C06809
1416
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME820790
150914
C05283
1430
-
N1-methylinosine
1-Methylinosine
ME820878
65095
-
1430
-
stachydrine
Stachydrine
ME820921
115244
C10172
1440
-
cysteine
Cysteine
ME820763
5862
C00097
1475
-
glutamate
Glutamic acid
ME820802
611
C00025
1500
-
threonine
Threonine
ME820926
6288
C00188
1514
-
citrulline
Citrulline
ME820759
9750
C00327
1520
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME820913
1196
C04322
1528
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME820791
165527
-
1535
-
nicotinate ribonucleoside
D-Ribosylnicotinate
ME820890
161234
C05841
1536
-
N4-acetylcytidine
N4-Acetylcytidine
ME820880
107461
-
1580
-
N-methylalanine
N-Methylalanine
ME820872
5288725
C02721
1580
-
proline
Proline
ME820903
145742
C00148
1603
-
gamma-glutamylcitrulline*
gamma-Glutamylcitrulline
ME820787
-
-
1644
-
2-methylserine
2-Methylserine
ME820704
94309
C02115
1652
-
pantothenate
Pantothenic acid
ME820894
6613
C00864
1667
-
nicotinate
Nicotinic acid
ME820889
938
C00253
1673
-
2-piperidinone
2-Piperidinone
ME820706
12665
-
1675
-
N-acetylproline
N-Acetyl-proline
ME820866
322640
-
1695
-
alanine
Alanine
ME820736
5950
C00041
1700
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME820798
76078708
-
1750
-
homostachydrine*
(S)-Homostachydrine
ME820826
441447
C08283
1750
-
2-oxoarginine*
2-Oxoarginine
ME820705
558
C03771
1760
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME820789
92865
C05282
1775
-
formiminoglutamate
Formiminoglutamic acid
ME820781
439233
C00439
1880
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME820725
1826
C05635
1893
-
pyroglutamine*
Pyroglutamine
ME820910
134508
-
1900
-
beta-alanine
beta-Alanine
ME820746
239
C00099
1905
-
homocitrulline
Homocitrulline
ME820825
65072
C02427
1908
-
2-aminoadipate
alpha-Aminoadipic acid
ME820700
469
C00956
1912
-
betaine aldehyde
Betaine aldehyde
ME820750
249
C00576
1915
-
dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME820775
1879
C00268
1930
-
pyridoxamine phosphate
Pyridoxamine 5'-phosphate
ME820909
1053
C00647
1932
-
guanidinoacetate
Guanidoacetic acid
ME820818
763
C00581
1937
-
1-methylnicotinamide
1-Methyl nicotinamide
ME820695
457
C02918
1940
-
nicotinamide
Niacinamide
ME820886
936
C00153
1942
-
creatine
Creatine
ME820760
586
C00300
1947
-
S-methylcysteine
Methylcysteine
ME820915
24417
-
1955
-
choline
Choline
ME820757
305
C00114
1961
-
carnitine
Carnitine
ME820756
10917
C00318
1978
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME820690
6451814
-
1989
-
cystine
Cystine
ME820767
67678
C00491
2000
-
glutathione, reduced (GSH)
Glutathione
ME820806
124886
C00051
2000
-
N-alpha-acetylornithine
N-Acetylornithine
ME820869
439232
C00437
2000
-
guanine
Guanine
ME820819
764
C00242
2032
-
imidazole lactate
Imidazolelactic acid
ME820829
793
C05568
2040
-
nicotinamide riboside
Nicotinamide riboside
ME820888
439924
C03150
2040
-
gamma-aminobutyrate (GABA)
gamma-Aminobutyric acid
ME820784
119
C00334
2048
-
deoxycarnitine
3-Dehydroxycarnitine
ME820772
134
C01181
2052
-
4-imidazoleacetate
Imidazoleacetic acid
ME820721
96215
C02835
2055
-
creatinine
Creatinine
ME820761
588
C00791
2055
-
cytosine
Cytosine
ME820771
597
C00380
2060
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME820689
75810
C05828
2064
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME820708
5200225
-
2065
-
N-acetylhistidine
N-Acetylhistidine
ME820864
75619
C02997
2065
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME820755
2572
-
2085
-
ophthalmate
Ophthalmic acid
ME820892
7018721
-
2085
-
malonylcarnitine
CAR DC3:0
ME820841
22833583
-
2086
-
histidine betaine (hercynine)*
Hercynine
ME820822
3083620
-
2094
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME820931
1145
C01104
2100
-
N-methyl-GABA
4-(Methylamino)butyric acid
ME820871
70703
C15987
2109
-
gamma-glutamylcysteine
gamma-Glutamylcysteine
ME820788
842
C00669
2118
-
N1-methyladenosine
1-Methyladenosine
ME820877
27476
C02494
2120
-
cytidine
Cytidine
ME820768
6175
C00475
2124
-
pro-hydroxy-pro
Pro-hydroxyPro
ME820902
11673055
-
2128
-
cysteinylglycine
Cys-Gly
ME820766
439498
C01419
2132
-
1-methyladenine
1-Methyladenine
ME820691
78821
C02216
2133
-
prolylglycine
Pro-Gly
ME820904
6426709
-
2136
-
beta-guanidinopropanoate
3-Guanidinopropanoic acid
ME820747
67701
C03065
2145
-
1-methylguanidine
Methylguanidine
ME820692
10111
C02294
2149
-
argininate*
Argininic acid
ME820740
160437
-
2150
-
adenosine
Adenosine
ME820733
60961
C00212
2169
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME820803
68662
-
2170
-
7-methylguanine
7-Methylguanine
ME820730
11361
C02242
2175
-
3-methylcytidine
3-Methylcytidine
ME820712
159649
-
2176
-
N,N-dimethylvaline
-
ME820851
11008044
-
2186
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME820848
14274897
-
2186
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME820709
64956
C05145
2190
-
2'-deoxycytidine
Deoxycytidine
ME820697
13711
C00881
2193
-
pipecolate
Pipecolic acid
ME820901
849
C00408
2200
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME820879
92919
-
2210
-
5-aminovalerate
5-Aminopentanoic acid
ME820724
138
C00431
2220
-
adenine
Adenine
ME820732
190
C00147
2221
-
5-methylcytidine
5-Methylcytidine
ME820727
92918
-
2227
-
N-acetylputrescine
N-Acetylputrescine
ME820867
122356
C02714
2230
-
xanthurenate
Xanthurenic acid
ME820940
5699
C02470
2236
-
N-acetylarginine
N-Acetylarginine
ME820853
67427
C02562
2245
-
2-pyrrolidineacetic acid
2-Pyrrolidineacetic acid
ME820707
123784
-
2248
-
2'-deoxyadenosine
Deoxyadenosine
ME820696
13730
C00559
2252
-
imidazole propionate
Imidazole propanoate
ME820830
70630
-
2263
-
cystathionine
Cystathionine
ME820762
439258
C02291
2270
-
acetylcarnitine (C2)
CAR 2:0
ME820731
1
C02571
2282
-
trans-urocanate
Urocanic acid
ME820929
736715
C00785
2285
-
N-acetylhistamine
N-Acetylhistamine
ME820863
69602
C05135
2287
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME820922
71464481
-
2291
-
riboflavin (Vitamin B2)
Riboflavin
ME820912
493570
C00255
2292
-
valylglutamine
Val-Gln
ME820937
5253209
-
2295
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME820852
131802901
-
2305
-
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME820722
1136
C04294
2310
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME820718
500
C01035
2320
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME820688
-
-
2340
-
pyridoxal
Pyridoxal
ME820907
1050
C00250
2343
-
thiamin monophosphate
Thiamine monophosphate
ME820924
3382778
C01081
2378
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME820687
53481617
-
2400
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME820699
150971
-
2411
-
tyrosine
Tyrosine
ME820935
6057
C00082
2430
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME820765
4247235
-
2465
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME820849
-
-
2470
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME820884
123800
-
2500
-
diacetylspermidine*
-
ME820774
87485212
-
2510
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME820800
94340
-
2518
-
methionine
Methionine
ME820842
6137
C00073
2526
-
serotonin
Serotonin
ME820918
5202
C00780
2550
-
adipoylcarnitine (C6-DC)
CAR DC6:0
ME820735
71296139
-
2570
-
beta-hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME820748
-
-
2584
-
propionylcarnitine (C3)
CAR 3:0
ME820905
107738
C03017
2590
-
anthranilate
2-Aminobenzoic acid
ME820739
227
C00108
2606
-
leucylglutamine*
Leu-Gln
ME820838
4305457
-
2620
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME820795
7009567
-
2640
-
glutathione, oxidized (GSSG)
Oxidized glutathione
ME820805
65359
C00127
2667
-
3-methylhistidine
3-Methylhistidine
ME820714
64969
C01152
2670
-
3-methylglutarylcarnitine (2)
CAR DC5:0;3Me
ME820713
128145
-
2687
-
N6-carboxyethyllysine
N(6)-(2-Carboxyethyl)-lysine
ME820883
22283604
-
2695
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME820801
7015683
-
2700
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME820786
7015685
-
2725
-
glycylvaline
Gly-Val
ME820817
97417
-
2734
-
3-formylindole
1H-Indole-3-carboxaldehyde
ME820710
10256
C08493
2736
-
kynurenine
Kynurenine
ME820836
161166
C00328
2739
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME820792
7017195
-
2740
-
argininosuccinate
Argininosuccinic acid
ME820742
16950
C03406
2745
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME820728
439176
C00170
2752
-
1-methylhistidine
1-Methylhistidine
ME820694
92105
C01152
2755
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME820723
123986
-
2755
-
hydroxy-N6,N6,N6-trimethyllysine*
-
ME820827
-
-
2759
-
butenoylcarnitine (C4:1)
CAR 4:1
ME820751
-
-
2765
-
carboxy-methyl-arginine
-
ME820754
-
-
2778
-
leucylglycine
Leu-Gly
ME820839
79070
-
2778
-
fructosyllysine
Fructosyllysine
ME820782
123708
-
2784
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME820785
65254
-
2784
-
5-hydroxylysine
5-Hydroxylysine
ME820726
1029
C16741
2790
-
O-methyltyrosine
O-Methyltyrosine
ME820891
76957
-
2790
-
isoleucine
Isoleucine
ME820833
6306
C00407
2800
-
ornithine
Ornithine
ME820893
6262
C00077
2800
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME820832
168379
-
2810
-
arginine
Arginine
ME820741
232
C00062
2825
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME820881
440120
C03793
2825
-
N6-methyllysine
N(6)-Methyllysine
ME820885
164795
C02728
2831
-
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME820882
193344
C05545
2831
-
N-monomethylarginine
Targinine
ME820874
132862
C03884
2845
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME820778
123831
C03626
2850
-
lysine
Lysine
ME820840
5962
C00047
2850
-
butyrylcarnitine (C4)
CAR 4:0
ME820752
439829
C02862
2860
-
leucine
Leucine
ME820837
6106
-
2864
-
phenylalanine
Phenylalanine
ME820896
6140
C00079
2878
-
phenylalanylglycine
Phe-Gly
ME820898
98207
-
2898
-
phenylalanylalanine
Phe-Ala
ME820897
5488196
-
2909
-
3-hydroxyhexanoylcarnitine (1)
CAR 6:0;3OH
ME820711
-
-
2918
-
anserine
Anserine
ME820738
112072
C01262
2924
-
tryptophylglycine
Trp-Gly
ME820934
263471
-
2930
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME820793
14253342
-
2940
-
homocarnosine
Homocarnosine
ME820824
10243361
C00884
2960
-
tiglylcarnitine (C5:1-DC)
CAR DC5:1
ME820927
22833596
-
2962
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME820799
3989307
-
2975
-
pyridoxamine
Pyridoxamine
ME820908
1052
C00534
2975
-
tryptophan
Tryptophan
ME820933
6305
C00078
2986
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME820794
151023
-
2991
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME820796
111299
-
2992
-
glycylisoleucine
Gly-Ile
ME820815
88079
-
3002
-
S-adenosylmethionine (SAM)
S-Adenosylmethionine
ME820914
34756
C00019
3002
-
putrescine
Putrescine
ME820906
1045
C00134
3027
-
histamine
Histamine
ME820821
774
C00388
3035
-
cadaverine
Cadaverine
ME820753
273
C01672
3036
-
1-methylhistamine
1-Methylhistamine
ME820693
3614
C05127
3040
-
isoputreanine
Isoputreanine
ME820834
171763
-
3043
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME820703
6426901
-
3050
-
thiamin (Vitamin B1)
Thiamine
ME820923
1130
C00378
3050
-
alanylleucine
Ala-Leu
ME820737
259583
-
3055
-
glycylleucine
Gly-Leu
ME820816
92843
C02155
3059
-
tryptamine
Tryptamine
ME820932
1150
C00398
3062
-
histidine methyl ester
-
ME820823
92893
-
3080
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME820686
-
-
3080
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME820835
6426851
-
3085
-
phenylacetylcarnitine
-
ME820895
101724840
-
3092
-
valylleucine
Val-Leu
ME820938
352039
-
3138
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME820701
227939
-
3160
-
glycitein
Glycitein
ME820814
5317750
C14536
3245
-
spermine
Spermine
ME820920
1103
C00750
3350
-
spermidine
Spermidine
ME820919
1102
C00315
3355
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME820810
167572
-
516
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME820809
439964
C03274
520
-
dihydroxyacetone phosphate (DHAP)
Dihydroxyacetone phosphate
ME820776
668
C00111
539
-
methylphosphate
Methanolphosphate
ME820846
13130
-
544
-
phosphate
Phosphoric acid
ME820899
1061
C00009
576
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME820812
3081457
-
577
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME820807
754
C00093
580
-
3-phosphoserine
Phosphoserine
ME820715
68841
C01005
591
-
cysteine sulfinic acid
3-Sulfino-alanine
ME820764
109
C00606
597
-
inosine 5'-monophosphate (IMP)
IMP
ME820831
8582
C00130
650
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME820808
123874
C01233
659
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME820811
71920
C00670
672
-
choline phosphate
Choline phosphate
ME820758
1014
C00588
700
-
urea
Urea
ME820936
1176
C00086
700
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME820858
-
-
715
-
hypotaurine
Hypotaurine
ME820828
107812
C00519
724
-
fucose
Fucose
ME820783
17106
C01018
750
-
ascorbate (Vitamin C)
Vitamin C
ME820743
54670067
C00072
770
-
N-acetylasparagine
N-Acetylasparagine
ME820854
99715
-
785
-
5-methylthioribose**
5-Methylthioribose
ME820729
494
-
790
-
diacetylchitobiose
N,N'-Diacetylchitobiose
ME820773
439544
C01674
790
-
guanosine 5'- monophosphate (5'-GMP)
GMP
ME820820
6804
C00144
800
-
N-acetylserine
N-Acetylserine
ME820868
65249
-
800
-
N-acetylglycine
N-Acetylglycine
ME820862
10972
-
826
-
dimethyl sulfone
Dimethyl sulfone
ME820777
6213
C11142
832
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME820845
-
-
832
-
cytidine 5'-monophosphate (5'-CMP)
CMP
ME820770
6131
C00055
835
-
N-acetylglutamine
N-Acetylglutamine
ME820861
182230
C02716
845
-
quinolinate
Quinolinic acid
ME820911
1066
C03722
845
-
cytidine 2' or 3'-monophosphate (2' or 3'-CMP)
-
ME820769
-
-
847
-
ergothioneine
Ergothioneine
ME820780
3032311
C05570
850
-
3-ureidopropionate
Ureidopropionic acid
ME820717
111
C02642
875
-
nicotinamide N-oxide
Nicotinamide N-oxide
ME820887
72661
-
877
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME820855
65065
C01042
880
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME820865
193368
-
880
-
picolinate
Picolinic acid
ME820900
1018
C10164
910
-
N-carbamoylalanine
N-Carbamoylalanine
ME820870
426409
-
950
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME820702
43
C02630
958
-
2'-deoxycytidine 5'-monophosphate
dCMP
ME820698
13945
C00239
975
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
solanidine
Solanidine
ME821067
65727
C06543
1010
-
heme
Heme
ME821036
26945
C00032
1124
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME821044
90659872
-
1316
-
myristoylcarnitine (C14)
CAR 14:0
ME821046
6426854
-
1350
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME821020
-
-
1353
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME821059
71464547
-
1357
-
phytosphingosine
Phytosphingosine
ME821065
122121
C12144
1367
-
3-hydroxypalmitoylcarnitine
CAR 16:0;3OH
ME821015
-
-
1380
-
palmitoloelycholine
-
ME821060
-
-
1385
-
linoleoylcholine*
alpha-Linoleoylcholine
ME821042
-
-
1388
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)*
CAR 20:3
ME821032
-
-
1392
-
sphingosine
Sphingosine
ME821077
5353955
C00319
1393
-
3-ketosphinganine
3-Ketosphinganine
ME821016
631
C02934
1400
-
3-hydroxyoleoylcarnitine
CAR 18:1(9Z);3OH
ME821014
-
-
1406
-
1-linolenoyl-GPC (18:3)*
LPC 18:3
ME820965
-
-
1410
-
sphinganine
Sphinganine
ME821068
3126
C00836
1413
-
oleoylcarnitine (C18:1)
CAR 18:1
ME821057
6441392
-
1423
-
margaroylcarnitine (C17)*
CAR 17:0
ME821043
-
-
1424
-
palmitoylcarnitine (C16)
CAR 16:0
ME821063
461
C02990
1425
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME821041
6450015
-
1430
-
eicosanoylsphingosine (d20:1)*
-
ME821033
-
-
1443
-
oleoylcholine
Oleoylcholine
ME821058
-
-
1449
-
1-palmitoleoyl-GPC (16:1)*
LPC 16:1/0:0
ME820981
24779461
-
1450
-
1-arachidonoyl-GPC (20:4n6)*
LPC 20:4/0:0
ME820962
-
C05208
1460
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME820969
11988421
C04100
1465
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME820963
42607465
-
1470
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME820970
52925130
-
1482
-
palmitoylcholine
Palmitoylcholine
ME821064
151731
-
1482
-
stearoylcarnitine (C18)
CAR 18:0
ME821079
6426855
-
1485
-
arachidoylcarnitine (C20)*
CAR 20:0
ME821021
-
-
1512
-
stearoylcholine*
Stearoylcholine
ME821080
-
-
1520
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME820997
86554
-
1525
-
erucoylcarnitine (C22:1)*
CAR 22:1
ME821034
-
-
1535
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME820978
16081932
-
1540
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME820998
9547069
-
1544
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME820957
10917802
-
1547
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME820979
9547071
-
1554
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME820958
-
-
1558
-
behenoylcarnitine (C22)*
CAR 22:0
ME821023
-
-
1561
-
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME820948
-
-
1566
-
lignoceroylcarnitine (C24)*
CAR 24:0
ME821039
-
-
1603
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME821011
497299
-
1606
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME821012
9547068
-
1626
-
retinol (Vitamin A)
Retinol
ME821066
445354
C00473
1636
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME820961
-
-
1649
-
oleoyl ethanolamide
Oleoyl-EA
ME821056
5283454
-
1661
-
N-oleoyl-alanine
-
ME821048
9906565
-
1676
-
carotene diol (1)
Carotene diol
ME821026
-
-
1720
-
1,2-dilinolenoyl-GPC (18:3/18:3)*
PC 18:3/18:3
ME820941
-
-
1800
-
bilirubin (Z,Z)
Bilirubin
ME821024
5280352
C00486
1840
-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*
PC 16:1_18:3
ME820980
-
-
1850
-
carotene diol (2)
Carotene diol
ME821027
-
-
1904
-
1-lignoceroyl-GPC (24:0)
LPC 24:0/0:0
ME820964
-
-
1907
-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*
PC 14:0/20:4
ME820971
-
-
1914
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*
PC 18:2/18:3
ME820968
-
-
1939
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*
PC 18:2/20:4
ME820966
-
-
1969
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME821071
11433862
-
1998
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME821075
-
-
2002
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME820942
5288075
-
2006
-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*
PC 18:1/22:6
ME820974
-
-
2011
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME820986
6441886
-
2023
-
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*
PE 18:2_20:4
ME820967
-
-
2030
-
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**
-
ME821037
-
-
2056
-
myristoyl dihydrosphingomyelin (d18:0/14:0)*
SM 18:0;O2/14:0
ME821045
-
-
2060
-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...
SM 33:1;O2
ME821069
-
-
2082
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME820982
10747814
-
2091
-
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*
PE 18:1/22:6
ME820975
-
-
2119
-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*
PE 16:0/22:6
ME820987
9546799
-
2119
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME820972
129657
-
2147
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME820949
-
-
2154
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME820988
5287971
-
2160
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME820994
-
-
2160
-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*
PC 18:1/18:2
ME820976
-
-
2165
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME821062
9939941
-
2168
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME821003
-
-
2197
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME820983
9546800
-
2198
-
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...
-
ME820985
-
-
2199
-
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*
PE 18:1/20:4
ME820973
-
-
2200
-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...
PC P-16:0/16:1 or PC O-16:1/16:1
ME820955
-
-
2218
-
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
ME820951
-
-
2226
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME820950
-
-
2270
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*
PE 18:1/18:2
ME820977
9546753
-
2270
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME821061
9939965
-
2290
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME820999
16219824
-
2300
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME821072
-
-
2312
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*
PE 18:0/22:6
ME821004
9546798
-
2317
-
1,2-dioleoyl-GPC (18:1/18:1)
PC 18:1/18:1
ME820943
10350317
-
2346
-
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
ME820952
-
-
2351
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME820989
6436017
-
2358
-
sphingomyelin (d18:0/18:0, d19:0/17:0)*
SM 36:0;O2
ME821070
-
-
2362
-
desmosterol
Desmosterol
ME821031
439577
C01802
2364
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME820945
452110
-
2365
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME821005
-
-
2380
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME821078
6453725
C00550
2400
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME821000
5289133
-
2424
-
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
ME820953
-
-
2443
-
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
ME820956
11146967
-
2454
-
ceramide (d18:1/14:0, d16:1/16:0)*
Cer 36:1;O2
ME821028
-
-
2477
-
1,2-dioleoyl-GPE (18:1/18:1)
PE 18:1/18:1
ME820944
9546757
-
2485
-
N-palmitoyl-sphingadienine (d18:2/16:0)*
Cer 18:2;O2/16:0
ME821051
-
-
2490
-
1,2-dipalmitoyl-GPE (16:0/16:0)*
PE 16:0/16:0
ME820946
445468
-
2498
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME820990
5283496
-
2509
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME820959
9547058
-
2511
-
4-cholesten-3-one
Cholestenone
ME821017
91477
C00599
2520
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME821006
9546749
-
2522
-
alpha-tocopherol
alpha-Tocopherol
ME821018
14985
C02477
2522
-
1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)*
PE P-18:1/18:1
ME820947
-
-
2534
-
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)
PS 18:0/20:4
ME821002
-
-
2565
-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*
PI 16:0/20:4
ME820984
-
-
2567
-
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
ME820954
-
-
2600
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME821035
-
-
2623
-
N-palmitoyl-phytosphingosine (t18:0/16:0)
Cer 18:0;O3/16:0
ME821050
10506988
-
2632
-
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME821076
-
-
2635
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME821008
-
-
2644
-
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*
-
ME821049
-
-
2645
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME820995
-
-
2653
-
1-palmitoyl-2-oleoyl-GPS (16:0/18:1)
PS 16:0/18:1
ME820993
5283499
C13880
2660
-
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME821073
-
-
2685
-
1-stearoyl-2-linoleoyl-GPS (18:0/18:2)
PS 18:0/18:2
ME821007
9547091
-
2689
-
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...
-
ME821047
-
-
2692
-
alpha-tocopherol acetate
Tocopherol acetate
ME821019
2117
C13202
2702
-
cholesterol
Cholesterol
ME821030
11025495
C00187
2707
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME821040
-
-
2720
-
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*
PE 16:0/18:0
ME820996
5326793
-
2850
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME821009
-
-
2858
-
campesterol
Campesterol
ME821025
173183
C01789
2873
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME821053
5283564
-
2893
-
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)
PE P-18:0/18:1 or PE O-18:1/18:1
ME820960
-
-
2950
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME821001
-
-
3000
-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)
PS 18:0/18:1
ME821010
9547087
-
3000
-
N-stearoyl-phytosphingosine (t18:0/18:0)*
-
ME821054
9898642
-
3020
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME821074
-
-
3033
-
ceramide (d18:1/17:0, d17:1/18:0)*
Cer 35:1;O2
ME821029
-
-
3055
-
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME821022
-
-
3083
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME821052
5283572
-
3090
-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*
PI 16:0/18:1
ME820992
-
-
3140
-
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)
PG 16:0/18:1
ME820991
5283509
-
3206
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME821055
5283565
-
3392
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME821038
-
-
3437
-
3-hydroxydecanoylcarnitine
CAR 10:0;3OH
ME821013
-
-
961
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-hydroxycinnamate sulfate
4-Hydroxycinnamate sulfate
ME821199
6070438
-
1000
-
1-kestose
1-Kestose
ME821109
440080
C03661
1054
-
butyrate/isobutyrate (4:0)
Butyric acid
ME821241
264
C00246
1062
-
(3'-5')-GppC*
-
ME821090
-
-
1075
-
S-methylglutathione
S-Methylglutathione
ME821408
3605667
C11347
1075
-
xanthosine
Xanthosine
ME821450
64959
C01762
1075
-
uridine-2',3'-cyclic monophosphate
2',3' cyclic UMP
ME821443
439715
C02355
1090
-
pseudouridine
Pseudouridine
ME821400
15047
C02067
1100
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME821209
94312
-
1119
-
5,6-dihydrouracil
Dihydrouracil
ME821208
649
C00429
1120
-
guanosine 2'-monophosphate (2'-GMP)*
-
ME821312
444571
-
1150
-
ferulic acid 4-sulfate
Ferulic acid 4-sulfate
ME821290
6305574
-
1200
-
adenosine 3'-monophosphate (3'-AMP)
3'-AMP
ME821226
41211
C01367
1245
-
azelate (C9-DC)
Azelaic acid
ME821235
2266
C08261
1276
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME821188
3017884
-
1282
-
hypoxanthine
Hypoxanthine
ME821325
790
C00262
1291.2
-
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME821177
187488
-
1294
-
dihydroferulic acid sulfate
Dihydroferulic acid 4-sulfate
ME821269
187489
-
1310
-
2'-deoxyadenosine 5'-monophosphate
dAMP
ME821144
12599
C00360
1315
-
2-hydroxysebacate
2-Hydroxy-decanedioic acid
ME821161
128458
-
1324
-
CoA-glutathione*
Glutathionyl-CoA
ME821256
11953788
C00920
1326
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME821201
127
C00642
1361
-
pterin
Pterin
ME821401
73000
C00715
1370
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME821178
9378
C03672
1379
-
1,1-kestotetraose
-
ME821095
166775
-
1381
-
hydroquinone sulfate
Quinol sulfate
ME821323
161220
C00530
1395
-
biopterin
Biopterin
ME821240
445040
C06313
1398
-
4-acetamidobenzoate
4-Acetamidobenzoic acid
ME821195
19266
D03836
1403
-
isobutyrylglycine
Isobutyrylglycine
ME821332
10855600
-
1420
-
nicotinamide adenine dinucleotide (NAD+)
NAD
ME821375
5893
C00003
1434
-
coenzyme A
Coenzyme A
ME821257
317
C00010
1448
-
uridine
Uridine
ME821438
6029
C00299
1457.6
-
gentisate
Gentisic acid
ME821305
3469
C00628
1459.8
-
folate
Folic acid
ME821300
6037
C00504
1467
-
butyrylglycine
-
ME821242
88412
-
1470
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME821200
151012
-
1475
-
guanosine-2',3'-cyclic monophosphate
2',3' cyclic GMP
ME821315
92823
C06194
1480
-
adenosine 2'-monophosphate (2'-AMP)
Adenosine 2'-phosphate
ME821224
94136
C00946
1497.7
-
maltol sulfate
-
ME821343
-
-
1503
-
valylglycine
Val-Gly
ME821447
136487
-
1506
-
ethyl beta-glucopyranoside
-
ME821287
121667
-
1519
-
(3'-5')-cytidylyluridine*
CpU
ME821089
-
-
1522
-
N-formylmethionine
N-Formylmethionine
ME821362
439750
C03145
1543.8
-
isovalerate (i5:0)
Isovaleric acid
ME821334
10430
C08262
1564
-
ethyl alpha-glucopyranoside
-
ME821286
428040
-
1576
-
2'-deoxyuridine
Deoxyuridine
ME821147
13712
C00526
1586
-
(3'-5')-uridylylcytidine*
UpC
ME821093
-
-
1591
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME821187
-
-
1595.5
-
phosphopantetheine
Pantetheine 4'-phosphate
ME821396
987
C01134
1597
-
inosine
Inosine
ME821331
6021
C00294
1602.1
-
tyrosylglycine
Tyr-Gly
ME821434
259323
-
1635
-
5,6-dihydrothymine
Dihydrothymine
ME821207
93556
C00906
1637.8
-
thymine
Thymine
ME821433
1135
C00178
1654
-
guanosine
Guanosine
ME821311
6802
C00387
1662
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME821179
10394
C01744
1670
-
(3'-5')-guanylylcytidine
GpC
ME821091
107595
-
1670
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME821150
181670
-
1677
-
N-acetyltyrosine
N-Acetyltyrosine
ME821356
68310
-
1680
-
vanillic acid glycine
-
ME821448
3083688
-
1682
-
2'-deoxyinosine
Deoxyinosine
ME821146
65058
C05512
1688
-
(3'-5')-uridylyluridine
UpU
ME821094
102258
-
1688
-
3'-dephospho-CoA-glutathione*
-
ME821174
-
-
1690
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME821203
979
C01179
1690
-
2'-deoxyguanosine
Deoxyguanosine
ME821145
187790
C00330
1700
-
N-acetylvaline
N-Acetylvaline
ME821357
66789
-
1704
-
1,2,3-benzenetriol sulfate (2)
-
ME821096
-
-
1709
-
indole-3-carboxylate
Indole-3-carboxylic acid
ME821327
69867
C19837
1710
-
valerate (5:0)
Valeric acid
ME821445
7991
C00803
1718
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME821184
151492
-
1725
-
chlorogenate
Chlorogenic acid
ME821251
5315832
-
1732
-
catechol glucuronide
-
ME821248
75124209
-
1742
-
benzoate
Benzoic acid
ME821237
243
C00180
1750
-
ferulate
trans-Ferulic acid
ME821289
445858
C01494
1755
-
(3'-5')-guanylyluridine
GpU
ME821092
-
-
1772
-
4-acetylcatechol sulfate (1)
-
ME821196
-
-
1774
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME821243
10981970
-
1777
-
5-methyluridine (ribothymidine)
Ribothymidine
ME821213
445408
-
1778.1
-
N-acetylmethionine
N-Acetylmethionine
ME821350
448580
C02712
1787
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME821155
164623
-
1800
-
phenol glucuronide
Phenyl glucuronide
ME821389
87235
-
1800
-
5-methyltetrahydrofolate (5MeTHF)
5-Methyl-THF
ME821212
146
C00440
1820
-
2'-O-methyluridine
2'-O-Methyluridine
ME821148
102212
-
1831
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME821407
439155
C00021
1832.4
-
1-carboxyethyltyrosine
1-Carboxyethyltyrosine
ME821103
-
-
1846
-
3-hydroxy-2-methylpyridine sulfate
-
ME821182
-
-
1849
-
catechol sulfate
Catechol sulfate
ME821249
3083879
-
1906
-
(3'-5')-adenylylcytidine
ApC
ME821086
10875494
-
1920
-
dihydroferulate
Dihydroferulic acid
ME821268
14340
-
1928
-
isovalerylglycine
Isovalerylglycine
ME821335
546304
-
1950
-
thymidine
Thymidine
ME821431
5789
C00214
1963.7
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME821176
91
C11457
1980
-
(3'-5')-adenylylguanosine*
ApG
ME821087
444337
-
1980
-
isoleucylglycine
Ile-Gly
ME821333
342532
-
1992
-
(3'-5')-adenylyluridine
ApU
ME821088
112074
-
2002
-
1-carboxyethylvaline
1-Carboxyethylvaline
ME821104
-
-
2008
-
3'-dephosphocoenzyme A
3'-Dephospho-CoA
ME821175
444485
C00882
2013
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME821192
47
C00671
2064.2
-
2-oxindole-3-acetate
2-Oxindole-3-acetate
ME821167
3080590
-
2076
-
hippurate
Hippuric acid
ME821321
464
C01586
2106.9
-
3-indoleglyoxylic acid
-
ME821190
73863
-
2140
-
phenylacetate
Phenyl acetate
ME821391
999
C07086
2150
-
phenol sulfate
Phenyl hydrogen sulfate
ME821390
74426
C02180
2156
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME821371
161466
-
2164
-
4-methyl-2-oxopentanoate
Ketoleucine
ME821204
70
C00233
2170
-
ferulylglycine (2)
-
ME821292
-
-
2172
-
(3'-5')-adenylyladenosine*
ApA
ME821085
94231
-
2173
-
pyridoxate
4-Pyridoxic acid
ME821403
6723
C00847
2185
-
Flavone derivative C26H28O14 (1)*
-
ME821295
-
-
2186
-
indoleacetate
Indoleacetic acid
ME821328
802
C00954
2200
-
phenyllactate (PLA)
Phenyllactic acid
ME821393
3848
C05607
2208
-
3-indoxyl sulfate
Indoxyl sulfate
ME821191
10258
-
2222.2
-
kynurenate
Kynurenic acid
ME821336
3845
C01717
2224
-
Flavone derivative C26H28O14 (2)*
-
ME821296
-
-
2234
-
ferulylglycine (1)
-
ME821291
-
-
2239
-
vanillin sulfate
-
ME821449
-
-
2242
-
Flavone derivative C26H28O14 (3)*
-
ME821297
-
-
2289
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME821221
69820
-
2300
-
pyrraline
Pyrraline
ME821404
122228
-
2304
-
threonylphenylalanine
Thr-Phe
ME821430
4099799
-
2322
-
N-acetylisoleucine
N-Acetylisoleucine
ME821348
306109
-
2325
-
N-formylphenylalanine
N-Formylphenylalanine
ME821363
759256
-
2360
-
phenylacetylglycine
Phenylacetylglycine
ME821392
68144
C05598
2375
-
flavin mononucleotide (FMN)
FMN
ME821294
710
C00061
2390
-
Flavone derivative C26H28O14 (4)*
-
ME821298
-
-
2397
-
N-acetylleucine
N-Acetylleucine
ME821349
70912
C02710
2400
-
p-cresol glucuronide*
P-Cresol glucuronide
ME821383
154035
-
2420
-
flavin adenine dinucleotide (FAD)
FAD
ME821293
643975
C00016
2425
-
Flavone derivative C26H28O14 (5)*
-
ME821299
-
-
2457
-
5-hydroxytryptophol
5-Hydroxytryptophol
ME821211
9061
-
2465
-
N-acetylpyrraline
Dehydroepiandrosterone
ME821352
-
-
2545
-
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME821149
9338
-
2575
-
daidzein 7-O-glucuronide
Daidzein 7-O-glucuronide
ME821260
11316354
-
2580
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME821351
74839
C03519
2597
-
indoleacetylglycine
N-Indoleacetylglycine
ME821329
446640
-
2610
-
1-carboxyethylisoleucine
1-Carboxyethylisoleucine
ME821100
-
-
2628
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME821355
700653
C03137
2630
-
1-carboxyethylleucine
1-Carboxyethylleucine
ME821101
-
-
2663
-
4-methylcatechol sulfate
-
ME821205
-
-
2665
-
dodecenedioate (C12:1-DC)*
Traumatic acid
ME821276
-
-
2700
-
caproate (6:0)
Caproic acid
ME821245
8892
C01585
2713.7
-
glycitein glucuronide (2)*
-
ME821307
-
-
2733
-
indolepropionate
3-Indolepropionic acid
ME821330
3744
-
2795
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME821102
-
-
2844
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME821193
107
C05629
2860
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME821345
-
-
2873
-
p-cresol sulfate
p-Cresol sulfate
ME821384
4615423
-
2890
-
genistein glucuronide*
-
ME821303
-
-
2895
-
hexanoylglycine
-
ME821320
99463
-
2900
-
cinnamoylglycine
Cinnamoylglycine
ME821254
709625
-
3127
-
equol glucuronide
-
ME821283
-
-
3215
-
4-hydroxy-nonenal-glutathione
-
ME821197
-
-
3319.2
-
ampicillin
Ampicillin
ME821232
-
-
3322
-
daidzein sulfate (2)
-
ME821261
-
-
3330
-
glycitein sulfate (2)
-
ME821308
-
-
3400
-
naringenin
Naringenin
ME821373
932
C00509
3437
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME821185
26613
-
3446
-
N-butyryl-leucine
-
ME821359
-
-
3470
-
4-methylhexanoylglycine
-
ME821206
-
-
3550
-
daidzein
Daidzein
ME821259
5281708
C10208
3566
-
genistein sulfate*
-
ME821304
-
-
3616
-
equol sulfate
Equol 4'-sulfate
ME821284
-
-
3630
-
N-butyryl-phenylalanine
-
ME821360
-
-
3645
-
heptanoate (7:0)
Heptylic acid
ME821316
8094
C17714
3670
-
enterolactone sulfate
-
ME821281
-
-
3746
-
genistein
Genistein
ME821302
5280961
C06563
3754
-
6-keto prostaglandin F1alpha
6-Keto-PGF1alpha
ME821216
5280888
C05961
4190
-
I-urobilinogen
Mesobilirubinogen
ME821326
26818
C05790
4190
-
enterodiol
Enterodiol
ME821279
123725
-
4327
-
caprylate (8:0)
Caprylic acid
ME821246
379
C06423
4362
-
hexadecenedioate (C16:1-DC)*
-
ME821319
-
-
4380
-
enterolactone
Enterolactone
ME821280
10685477
-
4515
-
chenodeoxycholic acid sulfate (1)
Chenodeoxycholic acid sulfate
ME821250
-
-
4531
-
cholate sulfate
-
ME821253
-
-
4557
-
equol
Equol
ME821282
91469
C14131
4565
-
prostaglandin E2
PGE2
ME821398
5280360
C00584
4573
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME821318
10459
C19615
4615
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME821183
26612
-
4634.7
-
ursocholate
Ursocholic acid
ME821444
-
-
4648
-
prostaglandin D2
PGD2
ME821397
448457
C00696
4650
-
prostaglandin F2alpha
PGF2alpha
ME821399
5280363
C00639
4658
-
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME821379
-
-
4676
-
taurocholenate sulfate*
Taurocholenate sulfate
ME821424
-
-
4750
-
glyco-beta-muricholate**
Gly-betaMCA
ME821309
-
-
4762
-
alpha-muricholate
alpha-Muricholic acid
ME821231
3083761
C17647
4765
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME821420
168408
-
4774
-
beta-muricholate
beta-Muricholic acid
ME821239
5283853
C17726
4794
-
7-ketodeoxycholate
7-Ketodeoxycholic acid
ME821220
188292
-
4821
-
6-beta-hydroxylithocholate
Murideoxycholic acid
ME821215
5283821
C15515
4830
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME821158
21488
-
4840
-
12-dehydrocholate
12-Ketochenodeoxycholic acid
ME821138
94235
-
4871
-
octadecenedioate (C18:1-DC)
-
ME821380
-
-
4875
-
taurochenodeoxycholic acid (7 or 27)-sulfate
-
ME821422
-
-
4928
-
(2 or 3)-decenoate (10:1n7 or n8)
Decenoic acid
ME821084
-
-
4990
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME821428
9848818
-
5025
-
6-oxolithocholate
6-Ketolithocholic acid
ME821217
164960
-
5033
-
hyocholate
Hyocholic acid
ME821324
92805
C17649
5046
-
3-dehydrocholate
3-Dehydrocholic acid
ME821180
159655
-
5050
-
taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME821427
119046
-
5073
-
caprate (10:0)
Capric acid
ME821244
2969
C01571
5090.7
-
12-ketolithocholate
12-Ketolithocholic acid
ME821140
3080612
-
5130
-
12,13-DiHOME
12,13-DiHOME
ME821137
10236635
C14829
5137
-
dodecadienoate (12:2)*
Dodecadienoic acid
ME821275
-
-
5146
-
taurocholate
Taurocholic acid
ME821423
6675
C05122
5150
-
glycocholate
Glycocholic acid
ME821310
10140
C01921
5163
-
soyasaponin I
Soyasaponin I
ME821410
122097
C08983
5163
-
cholate
Cholic acid
ME821252
221493
C00695
5165
-
12-HHTrE
12S-HHTrE
ME821139
5283141
C20388
5175
-
soyasaponin II
Soyasaponin II
ME821411
171435
C12081
5175
-
soyasaponin III
Soyasaponin III
ME821412
-
-
5176
-
9,10-DiHOME
9,10-DiHOME
ME821222
9966640
C14828
5180
-
undecanoate (11:0)
Undecylic acid
ME821436
8180
C17715
5219.2
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME821210
5312378
-
5224
-
3-dehydrodeoxycholate
3-Ketodeoxycholic acid
ME821181
160738
-
5235
-
16-hydroxypalmitate
Juniperic acid
ME821142
10466
C18218
5236.2
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME821421
387316
C05465
5250
-
taurodeoxycholate
Taurodeoxycholic acid
ME821426
2733768
C05463
5257.4
-
13-HODE + 9-HODE
HODE
ME821141
-
-
5275
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME821219
3081085
C17337
5288.1
-
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME821429
5312409
-
5292
-
deoxycholate
Deoxycholic acid
ME821264
222528
C04483
5294
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME821238
72715786
C20775
530
-
laurate (12:0)
Lauric acid
ME821337
3893
C02679
5300
-
myristoleate (14:1n5)
Myristoleic acid
ME821347
5281119
C08322
5346.9
-
dehydrolithocholate
Dehydrolithocholic acid
ME821263
159623
-
5360
-
10-hydroxystearate
Rosilic acid
ME821135
9561835
-
5370
-
lithocholate
Lithocholic acid
ME821341
9903
C03990
5372
-
stearidonate (18:4n3)
Stearidonic acid
ME821415
5312508
C16300
5395
-
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME821317
13932172
-
5398
-
25-hydroxycholesterol sulfate
-
ME821173
11705729
-
5409
-
S-(1,2-dicarboxyethyl)glutathione
-
ME821406
9802383
-
543
-
myristate (14:0)
Myristic acid
ME821346
11005
C06424
5440
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME821277
446284
C06428
5450
-
linolenate [alpha or gamma; (18:3n3 or 6)]
gamma-Linolenic acid
ME821339
5280934
C06426
5450
-
palmitoleate (16:1n7)
Palmitoleic acid
ME821386
445638
C08362
5475
-
N-arachidonoyltaurine
NA-Taurine 20:4(5Z,8Z,11Z,14Z)
ME821358
-
-
5481
-
1-arachidonoyl-GPI (20:4)*
LPI 20:4/0:0
ME821098
-
-
5482
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME821111
-
-
5483
-
1-linoleoyl-GPI (18:2)*
LPI 18:2/0:0
ME821113
-
-
5494
-
(12 or 13)-methylmyristate (a15:0 or i15:0)
Isopentadecylic acid
ME821081
151014
-
5499
-
1-linoleoyl-GPS (18:2)*
LPS 18:2
ME821114
-
-
5500
-
N-linoleoyltaurine*
NA-Taurine 18:2(9Z,12Z)
ME821365
-
-
5505
-
3-hydroxyoleate*
-
ME821186
-
-
5508
-
fructose 1,6-diphosphate/glucose 1,6-diphosphate/m...
Fructose 1,6-bisphosphate
ME821301
-
-
551
-
N-linoleoylglycine
-
ME821364
6433346
-
5510
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME821160
92836
-
5511.2
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME821112
-
-
5516
-
pentadecanoate (15:0)
Pentadecylic acid
ME821388
13849
C16537
5521
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME821271
445580
C06429
5525
-
arachidonate (20:4n6)
Arachidonic acid
ME821234
444899
C00219
5535
-
linoleate (18:2n6)
Linoleic acid
ME821338
5280450
C01595
5535
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME821134
5312435
-
5555
-
N-palmitoyltaurine
NA-Taurine 16:0
ME821369
-
-
5560
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME821126
-
-
5564
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME821125
3300276
-
5570
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME821272
6441454
C16513
5571
-
1-palmitoyl-GPS (16:0)*
LPS 16:0/0:0
ME821127
9547100
-
5572
-
N-palmitoylglycine
NA-Gly 16:0
ME821368
151008
-
5580
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME821267
5280581
C03242
5596
-
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME821120
-
-
5599
-
adenylosuccinate
Adenylsuccinic acid
ME821229
195
C03794
560
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME821124
6419701
C04036
5600
-
N-oleoylserine
NA-Ser 18:1(9Z)
ME821366
-
-
5600
-
1-oleoyl-GPS (18:1)
LPS 18:1/0:0
ME821121
9547099
-
5607
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME821119
-
-
5610
-
N-oleoyltaurine
NA-Taurine 18:1(9Z)
ME821367
6437033
-
5610
-
palmitate (16:0)
Palmitic acid
ME821385
985
C00249
5618
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME821273
6441454
C16513
5624.5
-
oleate/vaccenate (18:1)
Oleic acid
ME821381
-
-
5655
-
nisinate (24:6n3)
THA
ME821376
11792612
-
5657
-
3-hydroxystearate
3-Hydroxystearic acid
ME821189
5282907
-
5674
-
adrenate (22:4n6)
Adrenic acid
ME821230
5497181
C16527
5678
-
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME821082
-
-
5695
-
2-hydroxystearate
2-Hydroxystearic acid
ME821162
69417
C03045
5695
-
2-palmitoleoyl-GPC (16:1)*
LPC 0:0/16:1
ME821168
-
-
5720
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME821266
6439848
C16525
5730
-
margarate (17:0)
Margaric acid
ME821344
10465
-
5731
-
2-methylcitrate/homocitrate
Homocitric acid
ME821164
-
-
575
-
adenosine 3',5'-diphosphate
Adenosine 3',5'-diphosphate
ME821225
159296
C00054
575
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME821136
5312513
-
5780
-
N-stearoyltaurine
NA-Taurine 18:0
ME821370
168274
-
5782
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME821132
-
-
5794
-
aconitate [cis or trans]
cis-Aconitic acid
ME821223
-
-
580
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME821133
9547101
-
5800
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME821131
-
-
5816
-
citrate
Citric acid
ME821255
311
C00158
582
-
1-stearoyl-GPA (18:0)
LPA 18:0/0:0
ME821130
89567
-
5829
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME821194
724
C00597
583
-
docosatrienoate (22:3n6)*
10Z,13Z,16Z-Docosatrienoic acid
ME821274
-
-
5850
-
stearate (18:0)
Stearic acid
ME821414
5281
C01530
5872
-
phosphoenolpyruvate (PEP)
Phosphoenolpyruvic acid
ME821394
1005
C00074
587.3
-
UDP-glucuronate
UDP-glucuronic acid
ME821435
17473
C00167
588
-
2-eicosapentaenoylglycerol (20:5)*
MG 0:0/20:5/0:0
ME821153
11660820
-
5943
-
eicosenoate (20:1)
cis-Gondoic acid
ME821278
5282768
C16526
5950
-
2-hydroxyarachidate*
2-Hydroxyeicosanoic acid
ME821156
5225199
-
5990
-
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME821083
3083779
-
5993
-
uridine 5'-diphosphate (UDP)
UDP
ME821441
6031
C00015
599.5
-
sedoheptulose-7-phosphate
Sedoheptulose 7-phosphate
ME821409
616
C05382
599.6
-
2-palmitoleoylglycerol (16:1)*
MG 16:1
ME821169
-
-
6016
-
oxalate (ethanedioate)
Oxalic acid
ME821382
971
C00209
603
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME821270
5282807
C16533
6034
-
2-docosahexaenoylglycerol (22:6)*
MG 22:6
ME821152
-
-
6050
-
nonadecanoate (19:0)
Nonadecenoic acid
ME821377
12591
C16535
6068
-
1-eicosapentaenoylglycerol (20:5)*
MG 20:5
ME821107
-
-
6088
-
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME821123
-
-
6094
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME821418
45
C02287
610
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME821106
-
-
6150
-
linoleoyl ethanolamide
Linoleoyl-EA
ME821340
5283446
-
6150
-
malate
Malic acid
ME821342
525
C00149
615.6
-
sulfate*
Sulfate
ME821417
1118
C00059
616
-
18-methylnonadecanoate (i20:0)
Isoarachidic acid
ME821143
4383090
-
6170
-
2-arachidonoylglycerol (20:4)
MG 20:4
ME821151
5282280
C13856
6170
-
1-pentadecanoylglycerol (15:0)
MG 15:0
ME821129
190750
-
6200
-
1-linolenoylglycerol (18:3)
MG 18:3
ME821110
53480978
-
6214
-
2-palmitoyl-GPC (16:0)*
LPC 0:0/16:0
ME821170
15061532
-
6215
-
2-myristoylglycerol (14:0)
MG 0:0/14:0/0:0
ME821165
137938
-
6230
-
arachidate (20:0)
Arachidic acid
ME821233
10467
C06425
6240
-
1-arachidonylglycerol (20:4)
MG 20:4
ME821099
5282281
C13857
6250
-
2-linoleoylglycerol (18:2)
MG 18:2
ME821163
5365676
-
6250
-
uridine 5'-monophosphate (UMP)
UMP
ME821442
6030
C00105
627
-
2-heptadecenoylglycerol (17:1)*
MG 0:0/17:1/0:0
ME821154
-
-
6284
-
palmitoyl ethanolamide
Palmitoyl-EA
ME821387
4671
C16512
6300
-
2-hydroxynervonate*
Hydroxynervonic acid
ME821159
5312783
-
6345
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME821172
-
-
6350
-
1-myristoylglycerol (14:0)
MG 16:3
ME821118
79050
C01885
6353.3
-
erucate (22:1n9)
cis-Erucic acid
ME821285
5281116
C08316
6355.6
-
phosphoethanolamine
Phosphoethanolamine
ME821395
1015
C00346
638
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME821157
193484
-
6384
-
1-heptadecenoylglycerol (17:1)*
MG 17:1/0:0/0:0
ME821108
-
-
6390
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME821105
-
-
6400
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME821171
123409
-
6400
-
1-meadoylglycerol (20:3n9)*
MG 20:3/0:0/0:0
ME821117
-
-
6450
-
1-linoleoylglycerol (18:2)
MG 18:2
ME821115
5283469
-
6477
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME821166
5319879
-
6500
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME821128
14900
-
6550
-
1-margaroylglycerol (17:0)
MG 17:0
ME821116
107036
-
6571
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME821122
5283468
-
6650
-
behenate (22:0)*
Behenic acid
ME821236
8215
C08281
6745
-
adenosine 5'-diphosphate (ADP)
ADP
ME821227
6022
C00008
680
-
nervonate (24:1n9)*
Nervonic acid
ME821374
5281120
C08323
6804
-
taurine
Taurine
ME821419
1123
C00245
690
-
taurocyamine
Taurocyamine
ME821425
68340
C01959
734
-
5-oxoproline
Pyroglutamic acid
ME821214
7405
C01879
738.5
-
dehydroascorbate
Dehydroascorbic acid
ME821262
440667
C05422
739.6
-
uridine 3'-monophosphate (3'-UMP)
3'-UMP
ME821440
101543
C01368
750
-
guanosine 5'-diphospho-fucose
-
ME821314
-
-
755
-
histidine
Histidine
ME821322
6274
C00135
755.9
-
urate
Uric acid
ME821437
1175
C00366
757.1
-
glycerol
Glycerol
ME821306
753
C00116
758
-
guanosine 3'-monophosphate (3'-GMP)
Guanosine 3'-monophosphate
ME821313
3522
-
773.9
-
digalactosylglycerol*
Galactosylglycerol
ME821265
-
-
781
-
ethyl glucuronide
Ethyl glucuronide
ME821288
152226
-
793
-
N-acetyltaurine
N-Acetyltaurine
ME821353
159864
-
800
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME821097
64960
C07326
802
-
carnosine
Carnosine
ME821247
439224
C00386
804
-
suberate (C8-DC)
Suberic acid
ME821416
10457
C08278
804.3
-
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME821198
135
C00156
820
-
N-acetylthreonine
N-Acetylthreonine
ME821354
152204
-
821.6
-
uridine 2'-monophosphate (2'-UMP)*
UDP-N-acetylglucosamine
ME821439
-
-
824
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME821361
9920500
-
858
-
4-hydroxyphenylacetate sulfate
-
ME821202
-
-
867
-
thymidine 5'-monophosphate
TMP
ME821432
9700
C00364
883
-
valine
Valine
ME821446
6287
C00183
909.4
-
adenosine 5'-diphosphoribose (ADP-ribose)
ADP-ribose
ME821228
192
C00301
920
-
stachyose
Stachyose
ME821413
439531
C01613
920
-
cytidine 2',3'-cyclic monophosphate
2',3' cyclic CMP
ME821258
417654
C02354
937
-
N6-succinyladenosine
Succinyladenosine
ME821372
165243
-
940
-
pyridoxal phosphate
Pyridoxal 5'-phosphate
ME821402
1051
C00018
943
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME821218
3014237
-
965
-
raffinose
Raffinose
ME821405
10542
C00492
978
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME821378
514186
-
990
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME821452
677
C04039
1050
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME821469
99823
-
1052
-
uracil
Uracil
ME821544
1174
C00106
1089.7
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME821476
69362
-
1149.8
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME821455
-
-
1258
-
caffeic acid sulfate
-
ME821477
-
-
1307
-
ribulose/xylulose
Xylulose
ME821533
-
-
1400
-
mevalonate
Mevalonic acid
ME821514
439230
C02104
1462
-
lactate
Lactic acid
ME821505
612
C00186
1469
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME821463
441
C01089
1480
-
erythritol
Erythritol
ME821485
222285
C00503
1491
-
ribose
Ribose
ME821531
5779
C00121
1508.2
-
2-O-methylascorbic acid
2-O-Methylascorbic acid
ME821457
99779
-
1512
-
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME821458
13120901
-
1543
-
N-acetylalanine
N-Acetylalanine
ME821517
88064
C02847
1564.8
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME821464
87
C06001
1619
-
orotate
Orotic acid
ME821524
967
C00295
1638.1
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME821459
10964471
-
1660
-
allantoin
Allantoin
ME821468
204
C02350
1672
-
xylose
Xylose
ME821545
135191
C00181
1727
-
ribitol
Ribitol
ME821529
6912
C00474
1789.6
-
2,4-dihydroxybutyrate
2,4-Dihydroxybutanoic acid
ME821453
192742
-
1793
-
trans-4-hydroxycrotonic acid
-
ME821539
6155526
-
1795
-
arabinose
Arabinose
ME821472
66308
C00216
1804.5
-
dihydroorotate
4,5-Dihydroorotic acid
ME821484
648
C00337
1910
-
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME821470
48
-
1916
-
arabitol/xylitol
Arabitol
ME821473
-
-
1932.4
-
ascorbic acid 3-sulfate*
-
ME821475
11425365
-
2025
-
fructose
Fructose
ME821488
5984
C00095
2065
-
glycerate
Glyceric acid
ME821501
752
C00258
2070.4
-
pentose acid*
Valeric acid
ME821526
-
-
2180
-
erythronate*
Erythronic acid
ME821486
2781043
-
2186
-
mannose
Mannose
ME821510
18950
C00159
2200
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME821460
-
-
2204
-
orotidine
Orotidine
ME821525
92751
-
2250
-
sedoheptulose
Glucoheptulose
ME821535
5459879
-
2255
-
cysteine s-sulfate
Cysteine-S-sulfate
ME821480
115015
C05824
2273
-
mannitol/sorbitol
Sorbitol
ME821508
5780
C00794
2320
-
glucose
Glucose
ME821497
5793
C00031
2342
-
ribulonate/xylulonate/lyxonate*
-
ME821532
-
-
2350
-
galactitol (dulcitol)
Galactitol
ME821490
11850
C01697
2360
-
threonate
Threonic acid
ME821538
151152
C01620
2384
-
ribonate
Ribonic acid
ME821530
5460677
C01685
2425
-
quinate
Quinic acid
ME821528
6508
C00296
2432.9
-
galactosylglycerol
Galactosylglycerol
ME821494
16048618
C05401
2518
-
citraconate/glutaconate
Citraconic acid/Glutaconic acid
ME821479
-
-
2600
-
2-isopropylmalate
2-Isopropylmalic acid
ME821456
77
C02504
2605
-
N6-acetyllysine
N6-Acetyllysine
ME821523
92832
C02727
2612.6
-
maleate
Maleic acid
ME821506
444266
C01384
2640
-
pyruvate
Pyruvic acid
ME821527
1060
C00022
2650
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME821471
51
C00026
2700
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME821474
-
-
2700
-
mannonate*
Mannonic acid
ME821509
3246006
-
2736
-
gulonate*
Gulonic acid
ME821502
152304
C00257
2750
-
ethylmalonate
Ethylmalonic acid
ME821487
11756
-
2785
-
methylsuccinate
Methylsuccinic acid
ME821513
10349
-
2800
-
homoserine
Homoserine
ME821503
12647
C00263
2875.8
-
3-sulfo-L-alanine
Cysteic acid
ME821466
72886
C00506
2890
-
glutarate (C5-DC)
Glutaric acid
ME821500
743
C00489
2900
-
gluconate
Gluconic acid
ME821495
10690
C00257
2922
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME821454
193530
C02360
3000
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME821519
439197
C00270
3072.6
-
methylmalonate (MMA)
Methylmalonic acid
ME821512
487
C02170
3078.4
-
fumarate
Fumaric acid
ME821489
444972
C00122
3084
-
galactonate
Galactonic acid
ME821491
128869
C00880
3085
-
sucrose
Sucrose
ME821537
5988
C00089
3092
-
3-hydroxyadipate*
3-Hydroxy-adipic acid
ME821461
151913
-
3131
-
succinate
Succinic acid
ME821536
1110
C00042
3149
-
chiro-inositol
1D-chiro-Inositol
ME821478
-
C19891
3191.2
-
glucuronate
Glucuronic acid
ME821499
444791
C00191
3233.3
-
N-glycolylneuraminate
-
ME821521
123802
C03410
3327.5
-
maltose
Maltose
ME821507
10991489
C00208
3329.4
-
N2-acetyllysine
N(2)-Acetyllysine
ME821522
92907
C12989
3372.6
-
myo-inositol
Myo-inositol
ME821515
892
C00137
3506.3
-
UDP-N-acetylglucosamine/galactosamine
UDP-N-acetylhexosamine
ME821543
-
-
3665
-
cytidine 5'-monophospho-N-acetylneuraminic acid
CMP-N-acetylneuraminic acid
ME821482
448209
C00128
3900
-
UDP-glucose
UDP-glucose
ME821542
8629
C00029
3950
-
UDP-galactose
UDP-galactose
ME821541
18068
C00052
4000
-
acetylphosphate
Acetylphosphate
ME821467
186
C00227
4013.9
-
N-acetyl-glucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME821516
440364
C04256
4052
-
N-acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME821518
439219
C00357
4114
-
cytidine 5'-diphosphocholine
CDP-choline
ME821481
13804
C00307
4200
-
tricarballylate
1,2,3-Propanetricarboxylic acid
ME821540
14925
C19806
4200
-
cytidine-5'-diphosphoethanolamine
CDP-Ethanolamine
ME821483
123727
C00570
4210
-
mannose-6-phosphate
Mannose 6-phosphate
ME821511
439198
C00275
4510
-
glucosamine-6-phosphate
Glucosamine 6-phosphate
ME821496
439217
C00352
4521.5
-
glucose 6-phosphate
Glucose 6-phosphate
ME821498
5958
C00668
4537
-
galactose 1-phosphate
Galactose 1-phosphate
ME821492
123912
C00446
4552
-
galactose 6-phosphate
Galactose 6-phosphate
ME821493
3034794
-
4725
-
inositol 1-phosphate (I1P)
Inositol 3-phosphate
ME821504
440194
C01177
4785
-
1-stearoyl-2-oleoyl-GPG (18:0/18:1)
PG 18:0/18:1
ME821451
-
-
717
-
3-hydroxyarachidate*
3-Hydroxyeicosanoic acid
ME821462
5282918
-
725
-
salicylate
Salicylic acid
ME821534
338
C00805
802
-
N-formylanthranilic acid
Formylanthranilic acid
ME821520
101399
C05653
900
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME821465
49
C00141
911
-
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