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Return to study ST002909 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
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME756731
75810
C05828
-
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME756797
6451814
-
-
-
1-methyladenosine
1-Methyladenosine
ME756686
27476
C02494
-
-
1-methylguanidine
Methylguanidine
ME756707
10111
C02294
-
-
1-methylhistidine
1-Methylhistidine
ME756719
92105
C01152
-
-
1-methylnicotinamide
1-Methyl nicotinamide
ME756607
457
C02918
-
-
1-methylurate
1-Methyluric acid
ME756746
69726
C16359
-
-
1-ribosyl-imidazoleacetate*
Imidazoleacetic acid riboside
ME756771
440569
C05131
-
-
"2,3-dihydroxypyridine"
2,3-Dihydroxypyridine
ME756713
28115
-
-
-
2-aminoadipate
alpha-Aminoadipic acid
ME756634
92136
C00956
-
-
2-aminobutyrate
2-Aminobutyric acid
ME756678
80283
C02356
-
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME756818
227939
-
-
-
(2-butoxyethoxy)acetic acid
-
ME756866
106312
-
-
-
2-furoylcarnitine
-
ME756841
-
-
-
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME756779
43
C02630
-
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME756757
6426901
-
-
-
2-methylmalonylcarnitine (C4-DC)
CAR DC3:0;2Me
ME756764
53481628
-
-
-
2-methylserine
2-Methylserine
ME756832
94309
C02115
-
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME756836
150971
-
-
-
2-oxindole-3-acetate
2-Oxindole-3-acetate
ME756799
3080590
-
-
-
2-oxoarginine*
2-Oxoarginine
ME756796
558
C03771
-
-
2-piperidinone
2-Piperidinone
ME756814
12665
-
-
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME756850
5200225
-
-
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME756677
64956
C05145
-
-
3-formylindole
1H-Indole-3-carboxaldehyde
ME756847
10256
C08493
-
-
3-hydroxybutyroylglycine**
-
ME756844
-
-
-
-
3-hydroxyhexanoylcarnitine (1)
CAR 6:0;3OH
ME756858
-
-
-
-
3-hydroxyhexanoylcarnitine (2)
CAR 6:0;3OH
ME756859
-
-
-
-
3-hydroxykynurenine
Hydroxykynurenine
ME756716
89
C02794
-
-
3-hydroxyoctanoylcarnitine (1)
CAR 8:0;3OH
ME756869
-
-
-
-
3-hydroxyoctanoylcarnitine (2)
CAR 8:0;3OH
ME756870
-
-
-
-
3-hydroxypyridine glucuronide
-
ME756857
-
-
-
-
3-hydroxystachydrine*
3-Hydroxystachydrine
ME756842
46173781
C10151
-
-
3-methoxytyrosine
3-Methoxytyrosine
ME756690
9307
-
-
-
3-methylcrotonylglycine
3-Methylcrotonylglycine
ME756727
169485
C20828
-
-
3-methylcytidine
3-Methylcytidine
ME756752
14237477
-
-
-
3-methylglutarylcarnitine (2)
CAR DC5:0;3Me
ME756822
128145
-
-
-
3-methylxanthine
3-Methylxanthine
ME756724
70639
C16357
-
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME756608
724
C00597
-
-
3-ureidopropionate
Ureidopropionic acid
ME756673
111
C02642
-
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME756676
18189
C02946
-
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME756696
500
C01035
-
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME756790
439902
C03079
-
-
4-hydroxyphenylacetoylcarnitine
-
ME756828
-
-
-
-
4-imidazoleacetate
Imidazoleacetic acid
ME756730
96215
C02835
-
-
"5,6-dihydrothymine"
Dihydrothymine
ME756609
93556
C00906
-
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME756787
66995551
-
-
-
5-hydroxylysine
5-Hydroxylysine
ME756695
3032849
C16741
-
-
5-hydroxymethyl-2-furoylcarnitine*
-
ME756862
-
-
-
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME756617
439176
C00170
-
-
7-methylguanine
7-Methylguanine
ME756751
135398679
C02242
-
-
7-methylurate
7-Methyluric acid
ME756785
69160
C16355
-
-
7-methylxanthine
7-Methylxanthine
ME756745
68374
C16353
-
-
acetoacetate
Acetoacetic acid
ME756682
96
C00164
-
-
acetylcarnitine (C2)
CAR 2:0
ME756711
7045767
C02571
-
-
adenine
Adenine
ME756665
190
C00147
-
-
adenosine
Adenosine
ME756655
60961
C00212
-
-
adipoylcarnitine (C6-DC)
CAR DC6:0
ME756827
71296139
-
-
-
alanine
Alanine
ME756659
5950
C00041
-
-
alliin
Alliin
ME756807
87310
C08265
-
-
AMP
AMP
ME756616
6083
C00020
-
-
anthranilate
2-Aminobenzoic acid
ME756688
227
C00108
-
-
argininate*
Argininic acid
ME756795
160437
-
-
-
arginine
Arginine
ME756618
6322
C00062
-
-
argininosuccinate
Argininosuccinic acid
ME756619
60150382
C03406
-
-
asparagine
Asparagine
ME756667
6267
C00152
-
-
aspartate
Aspartic acid
ME756620
5960
C00049
-
-
azeloylcarnitine (C9-DC)
-
ME756830
-
-
-
-
benzoylcarnitine*
Benzoylcarnitine
ME756819
-
-
-
-
beta-alanine
beta-Alanine
ME756621
239
C00099
-
-
beta-hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME756763
-
-
-
-
betaine
Betaine
ME756656
247
C00719
-
-
betonicine
Betonicine
ME756782
164642
C08269
-
-
butenoylcarnitine (C4:1)
CAR 4:1
ME756840
-
-
-
-
butyrylcarnitine (C4)
CAR 4:0
ME756720
439829
C02862
-
-
caffeine
Caffeine
ME756663
2519
C07481
-
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME756802
2572
-
-
-
carnitine
Carnitine
ME756692
288
"C00487,C00308"
-
-
carnosine
Carnosine
ME756622
439224
C00386
-
-
choline
Choline
ME756687
305
C00114
-
-
cis-urocanate
Urocanic acid
ME756805
1549103
-
-
-
citrulline
Citrulline
ME756635
9750
C00327
-
-
cotinine
Cotinine
ME756662
408
-
-
-
cotinine N-oxide
Cotinine N-oxide
ME756794
9815514
-
-
-
creatine
Creatine
ME756683
586
C00300
-
-
creatinine
Creatinine
ME756624
588
C00791
-
-
cyclo(gly-pro)
Cyclo(Gly-Pro)
ME756776
193540
-
-
-
"cys-gly, oxidized"
-
ME756684
333293
-
-
-
cystathionine
Cystathionine
ME756627
439258
C02291
-
-
cysteine
Cysteine
ME756657
5862
C00097
-
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME756750
3080690
R00900
-
-
cysteine sulfinic acid
3-Sulfino-alanine
ME756780
109
C00606
-
-
cysteinylglycine
Cys-Gly
ME756625
439498
C01419
-
-
cysteinylglycine disulfide*
Cysteinylglycine disulfide
ME756788
22833544
-
-
-
cystine
Cystine
ME756626
67678
C00491
-
-
cytidine
Cytidine
ME756661
6175
C00475
-
-
cytosine
Cytosine
ME756666
597
C00380
-
-
deoxycarnitine
3-Dehydroxycarnitine
ME756770
22620
C01181
-
-
diacetylspermidine*
N1,N8-Diacetylspermidine
ME756849
132680
C03413
-
-
dimethylarginine (ADMA + SDMA)
Dimethylarginine
ME756774
-
"C21189,C03626"
-
-
dimethylglycine
Dimethylglycine
ME756658
673
C03626
-
-
dimethylguanidino valeric acid (DMGV)*
DMGV
ME756861
101535539
-
-
-
dimethyl sulfone
Dimethyl sulfone
ME756813
6213
C11142
-
-
dopamine
Dopamine
ME756691
681
C03758
-
-
ectoine
Ectoine
ME756769
126041
C06231
-
-
ergothioneine
Ergothioneine
ME756783
5351619
C05570
-
-
formiminoglutamate
Formiminoglutamic acid
ME756789
439233
C00439
-
-
fructosyllysine
Fructosyllysine
ME756821
9839580
-
-
-
gamma-carboxyglutamate
gamma-Carboxy-glutamic acid
ME756791
40772
-
-
-
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME756756
-
-
-
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME756775
440103
C03738
-
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME756837
65254
-
-
-
gamma-glutamylcitrulline*
gamma-Glutamylcitrulline
ME756848
-
-
-
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME756733
7015685
-
-
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME756628
92865
C05282
-
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME756679
150914
C05283
-
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME756736
100099
-
-
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME756685
7017195
-
-
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME756755
22885096
-
-
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME756689
151023
-
-
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME756740
7009567
-
-
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME756706
111299
-
-
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME756741
76078708
-
-
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME756737
3989307
-
-
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME756674
94340
-
-
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME756726
7015683
-
-
-
glutamate
Glutamic acid
ME756650
33032
"C00025,C00217"
-
-
"glutamate, gamma-methyl ester"
Glutamic acid, gamma-methyl ester
ME756723
68662
-
-
-
glutamine
Glutamine
ME756651
5961
C00064
-
-
glutamine_degradant*
-
ME756759
-
-
-
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME756762
71317118
-
-
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME756697
754
C0093
-
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME756767
123874
C01233
-
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME756768
167572
-
-
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME756700
71920
C00670
-
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME756838
3081457
-
-
-
glycine
Glycine
ME756629
750
C00037
-
-
guanidine
Agmatine
ME756717
3520
C17349
-
-
guanidinoacetate
Guanidoacetic acid
ME756630
763
C00581
-
-
guanidinosuccinate
Guanidinosuccinic acid
ME756732
439918
C03139
-
-
hexanoylcarnitine (C6)
CAR 6:0
ME756709
6426853
-
-
-
histidine betaine (hercynine)*
Hercynine
ME756812
3083620
-
-
-
homoarginine
Homoarginine
ME756715
9085
C01924
-
-
homostachydrine*
(S)-Homostachydrine
ME756760
441447
C08283
-
-
hydroxyasparagine**
Hydroxyasparagine
ME756843
15991574
C20631
-
-
hydroxycotinine
trans-3-Hydroxycotinine
ME756793
107963
-
-
-
"hydroxy-N6,N6,N6-trimethyllysine*"
-
ME756863
-
-
-
-
hydroxyproline
Hydroxyproline
ME756668
5810
C01157
-
-
hypotaurine
Hypotaurine
ME756631
107812
C00519
-
-
hypoxanthine
Hypoxanthine
ME756610
-
C00262
-
-
imidazole lactate
Imidazolelactic acid
ME756698
793
C05568
-
-
imidazole propionate
Imidazole propanoate
ME756806
70630
-
-
-
iminodiacetate (IDA)
Iminodiacetate
ME756714
8897
C19911
-
-
indoleacetoylcarnitine*
-
ME756853
-
-
-
-
indolin-2-one
Indolin-2-one
ME756816
321710
C12312
-
-
inosine 5'-monophosphate (IMP)
IMP
ME756632
8582
C00130
-
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME756721
168379
-
-
-
isoleucine
Isoleucine
ME756633
6306
"C06418,C00407,C16424"
-
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME756744
169235
C20826
-
-
kynurenine
Kynurenine
ME756699
161166
C00328
-
-
lanthionine
Lanthionine
ME756809
98504
-
-
-
leucine
Leucine
ME756637
6106
C00123
-
-
leucylglycine
Leu-Gly
ME756800
79070
-
-
-
levulinate (4-oxovalerate)
Levulinic acid
ME756708
11579
-
-
-
levulinoylcarnitine
-
ME756864
-
-
-
-
lysine
Lysine
ME756638
5962
"C00739,C00047"
-
-
malonylcarnitine
CAR DC3:0
ME756758
22833583
-
-
-
methionine
Methionine
ME756639
6137
C00073
-
-
methionine sulfone
Methionine sulfone
ME756820
69961
-
-
-
methionine sulfoxide
Methionine sulfoxide
ME756694
158980
C02989
-
-
methyl indole-3-acetate
Indole-3-methyl acetate
ME756675
74706
-
-
-
methylsuccinoylcarnitine
-
ME756834
-
-
-
-
N('1)-acetylspermidine
N1-Acetylspermidine
ME756613
496
C00612
-
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME756753
69698
C05842
-
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME756754
440810
C05843
-
-
N1-methylinosine
1-Methylinosine
ME756747
650095
-
-
-
"N1,N12-diacetylspermine"
N1,N12-Diacetylspermine
ME756781
132680
C03413
-
-
"N2-acetyl,N6-methyllysine"
N2-Acetyl,N6-methyllysine
ME756856
-
-
-
-
"N2-acetyl,N6,N6-dimethyllysine"
N2-Acetyl,N6,N6-dimethyllysine
ME756855
-
-
-
-
"N2,N2-dimethylguanosine"
N2,N2-Dimethylguanosine
ME756748
135501639
-
-
-
N4-acetylcytidine
N4-Acetylcytidine
ME756749
107461
-
-
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME756773
123800
-
-
-
N6-methyllysine
N(6)-Methyllysine
ME756804
164795
C02728
-
-
"N6,N6-dimethyllysine"
N(6),N(6)-Dimethyl-lysine
ME756852
193344
C05545
-
-
"N6,N6,N6-trimethyllysine"
N-6-Trimethyllysine
ME756614
440120
C03793
-
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME756815
53859791
-
-
-
N-acetyl-2-aminoadipate
N-Acetyl-2-aminoadipic acid
ME756868
443992
C12986
-
-
N-acetylarginine
N-Acetylarginine
ME756734
67427
C02562
-
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME756710
65065
C01042
-
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME756766
188803
C12270
-
-
N-acetyl-cadaverine
N-Acetylcadaverine
ME756786
10374713
-
-
-
N-acetylcarnosine
N-Acetylcarnosine
ME756811
9903482
-
-
-
N-acetylcitrulline
N-Acetylcitrulline
ME756761
656979
"C15532,C02851"
-
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME756826
-
C01074
-
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME756681
123826
C04540
-
-
N-acetylglutamate
N-Acetylglutamic acid
ME756701
70914
C00624
-
-
N-acetylglycine
N-Acetylglycine
ME756718
10972
-
-
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME756854
131802901
-
-
-
N-acetylkynurenine (2)
N-Acetylkynurenine
ME756825
73817779
-
-
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME756680
439197
C00270
-
-
N-acetylproline
N-Acetyl-proline
ME756743
322640
-
-
-
N-acetylputrescine
N-Acetylputrescine
ME756615
122356
C02714
-
-
N-acetylthreonine
N-Acetylthreonine
ME756735
152204
-
-
-
N-alpha-acetylornithine
N-Acetylornithine
ME756702
439232
C00437
-
-
N-carbamoylalanine
N-Carbamoylalanine
ME756824
426409
-
-
-
N-formylkynurenine
N-Formyl-L-kynurenine
ME756612
910
"C15605,C02406,C02700"
-
-
nicotinamide
Niacinamide
ME756640
936
C00153
-
-
nicotinamide riboside
Nicotinamide riboside
ME756739
439924
C03150
-
-
nicotinate ribonucleoside
D-Ribosylnicotinate
ME756742
161233
C05841
-
-
N-methylhydroxyproline**
N-Methyl-4-hydroxyproline
ME756845
9860390
-
-
-
N-methylproline
N-Methyl-proline
ME756778
643474
-
-
-
"N,N-dimethyl-5-aminovalerate"
N,N-Dimethyl-5-aminovaleric acid
ME756860
-
-
-
-
"N,N-dimethylalanine"
N,N-Dimethylalanine
ME756851
5488191
-
-
-
"N,N,N-trimethyl-5-aminovalerate"
N,N,N-trimethyl-5-aminovalerate
ME756839
14274897
-
-
-
"N,N,N-trimethyl-alanylproline betaine (TMAP)"
N,N,N-Trimethyl-alanylproline betaine
ME756846
-
-
-
-
norcotinine
Norcotinine
ME756792
413
-
-
-
ornithine
Ornithine
ME756641
6262
C00077
-
-
phenylacetylcarnitine
-
ME756823
101724840
-
-
-
phenylalanine
Phenylalanine
ME756642
6140
C00079
-
-
phosphate
Phosphoric acid
ME756643
1061
C00009
-
-
phosphocholine
Choline phosphate
ME756623
1014
C00588
-
-
phosphoethanolamine (PE)
Phosphoethanolamine
ME756672
1015
C00346
-
-
picolinate
Picolinic acid
ME756669
1018
C10164
-
-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME756835
-
-
-
-
pipecolate
Pipecolic acid
ME756671
-
-
-
-
proline
Proline
ME756644
-
"C00148,C000763"
-
-
prolylglycine
Pro-Gly
ME756808
6426709
-
-
-
prolylhydroxyproline
Pro-hydroxyPro
ME756729
11902893
-
-
-
propionylcarnitine (C3)
CAR 3:0
ME756728
107738
C03017
-
-
quinolinate
Quinolinic acid
ME756611
1066
C03722
-
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME756810
53481617
-
-
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME756605
11966181
C04322
-
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME756833
71464477
-
-
-
(S)-a-amino-omega-caprolactam
L-2-aminohexano-6-lactam
ME756865
440599
C02837
-
-
saccharopine
Saccharopine
ME756636
160556
C00449
-
-
S-allylcysteine
S-Allylcysteine
ME756817
98280
-
-
-
sarcosine
Sarcosine
ME756670
1088
C00213
-
-
S-carboxyethylcysteine
-
ME756867
-
-
-
-
serine
Serine
ME756645
5951
C00065
-
-
serotonin
Serotonin
ME756646
5202
C00780
-
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME756798
82142
-
-
-
S-methylmethionine
S-Methylmethionine
ME756784
458
C05319
-
-
spermidine
Spermidine
ME756606
1102
C00315
-
-
stachydrine
Stachydrine
ME756738
115244
C10172
-
-
suberoylcarnitine (C8-DC)
CAR DC8:0
ME756829
-
-
-
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME756777
71464481
-
-
-
taurine
Taurine
ME756647
1123
C00245
-
-
theobromine
Theobromine
ME756705
5429
C07480
-
-
theophylline
Theophylline
ME756704
2153
C07130
-
-
thiamin (Vitamin B1)
Thiamine
ME756664
1130
"DG00125,C00378,D08580"
-
-
thioproline
Thioproline
ME756831
93176
-
-
-
threonine
Threonine
ME756652
6288
C00188
-
-
threonylphenylalanine
Thr-Phe
ME756725
7010580
-
-
-
tiglyl carnitine (C5)
CAR 4:1;2Me
ME756765
22833596
-
-
-
trans-urocanate
Urocanic acid
ME756649
736715
C00785
-
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME756722
5570
C01004
-
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME756803
1145
C01104
-
-
trizma acetate
2-Amino-2-methylol-propane-1,3-diol
ME756712
16218782
C07182
-
-
tryptophan
Tryptophan
ME756653
6305
C00078
-
-
tryptophan betaine
Lenticin
ME756772
442106
C09213
-
-
tyrosine
Tyrosine
ME756660
6057
C00082
-
-
urea
Urea
ME756648
1176
C00086
-
-
valine
Valine
ME756654
6287
C00183
-
-
valylleucine
Val-Leu
ME756801
352039
-
-
-
xanthosine
Xanthosine
ME756703
64959
C01762
-
-
xanthurenate
Xanthurenic acid
ME756693
5699
C02470
-
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME756944
-
-
-
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME756987
-
-
-
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME756983
52925126
-
-
-
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
ME756986
24779386
-
-
-
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
ME756998
52925127
-
-
-
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
ME756985
34779384
-
-
-
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
ME756984
52925128
-
-
-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...
PC P-16:0/16:1 or PC O-16:1/16:1
ME757002
52923882
-
-
-
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
ME757003
11146967
-
-
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME756933
10917802
-
-
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME756936
-
-
-
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME756982
9547058
-
-
-
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*
PE P-18:0/18:2 or PE O-18:1/18:2
ME757010
-
-
-
-
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
ME756964
42607457
-
-
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME756937
-
-
-
-
"1,2-dilinoleoyl-GPC (18:2/18:2)"
PC 18:2/18:2
ME756959
5288075
-
-
-
"1,2-dilinoleoyl-GPE (18:2/18:2)*"
PE 18:2/18:2
ME757007
9546812
-
-
-
"1,2-dipalmitoyl-GPC (16:0/16:0)"
PC 16:0/16:0
ME756892
452110
D03585
-
-
"1,2-dipalmitoyl-GPE (16:0/16:0)*"
PE 16:0/16:0
ME757005
445468
-
-
-
1-arachidonoyl-GPC* (20:4)*
LPC 20:4/0:0
ME756911
24779476
C05208
-
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME756916
42607465
-
-
-
1-lignoceroyl-GPC (24:0)
LPC 24:0/0:0
ME756932
24779481
-
-
-
1-linolenoyl-GPC (18:3)*
LPC 18:3
ME756943
-
C04100
-
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*
PC 18:2/18:3
ME757016
52922731
-
-
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME756907
11988421
C04100
-
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME756915
52925130
-
-
-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*
PC 14:0/20:4
ME757001
24778634
-
-
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME756893
129657
-
-
-
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*
PE 18:1/20:4
ME757008
348281223
-
-
-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*
PC 18:1/22:6
ME757000
24778955
-
-
-
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*
PE 18:1/22:6
ME757009
52922113
-
-
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*
PE 18:1/18:2
ME756999
9546753
-
-
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME756903
16081932
C03916
-
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME756914
9547071
-
-
-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*
PC 16:1_18:3
ME757017
52922452
-
-
-
1-palmitoleoyl-GPC* (16:1)*
LPC 16:1/0:0
ME756910
24779461
-
-
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME756961
10747814
C05208
-
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME756976
9546800
C05210
-
-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*
PI 16:0/20:4
ME756979
-
-
-
-
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...
-
ME756975
-
-
-
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME756962
6441886
-
-
-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*
PE 16:0/22:6
ME756977
9546799
-
-
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME756885
5287971
-
-
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME756919
9546747
-
-
-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)
PI 16:0/18:2
ME756884
46891795
-
-
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME756887
6436017
C13875
-
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME756883
5283496
-
-
-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*
PI 16:0/18:1
ME756997
71296232
-
-
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME756974
6443788
-
-
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME756966
24778686
C03889
-
-
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*
PE 16:0/18:0
ME757006
5326793
-
-
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME756898
86554
C04102
-
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME756913
9547069
-
-
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME756918
16219824
-
-
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME756972
5289133
C05210
-
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME756889
-
-
-
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME756963
24778876
-
-
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*
PE 18:0/22:6
ME756978
9546798
-
-
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME756973
6441487
-
-
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME756971
9546749
-
-
-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)
PI 18:0/18:2
ME756980
-
-
-
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME756960
24778825
-
-
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME756917
9546742
-
-
-
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*
PI 18:0/18:1
ME757004
-
-
-
-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)
PS 18:0/18:1
ME756891
9547087
-
-
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME756902
497300
-
-
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME756908
9547068
-
-
-
2-palmitoleoyl-GPC* (16:1)*
LPC 0:0/16:1
ME756912
122164832
-
-
-
3-decenoylcarnitine
CAR 10:1
ME757099
-
-
-
-
3-hydroxydecanoylcarnitine
CAR 10:0;3OH
ME757100
121454166
-
-
-
3-hydroxyoleoylcarnitine
CAR 18:1(9Z);3OH
ME757095
129637446
-
-
-
3-hydroxypalmitoylcarnitine
CAR 16:0;3OH
ME757094
126456228
-
-
-
4-cholesten-3-one
Cholestenone
ME756927
91477
C00599
-
-
5-dodecenoylcarnitine (C12:1)
CAR 12:1(5)
ME757093
91825571
-
-
-
adrenoylcarnitine (C22:4)*
CAR 22:4
ME757087
-
-
-
-
alpha-tocopherol
alpha-Tocopherol
ME756878
86472
C02477
-
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME757080
136212424
-
-
-
arachidonoylcholine
Arachidonoylcholine
ME757014
122198216
-
-
-
arachidonoyl ethanolamide
Arachidonoyl-EA
ME756880
5281969
C11695
-
-
arachidoylcarnitine (C20)*
CAR 20:0
ME757076
53477833
-
-
-
behenoylcarnitine (C22)*
CAR 22:0
ME757075
71464577
-
-
-
behenoyl dihydrosphingomyelin (d18:0/22:0)*
SM 18:0;O2/22:0
ME756989
44260132
-
-
-
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME756953
44260125
-
-
-
beta-cryptoxanthin
Cryptoxanthin
ME756924
5281235
C08591
-
-
beta-sitosterol
Sitosterol
ME756895
222284
C01753
-
-
bilirubin
Bilirubin
ME756877
5280352
C00486
-
-
"bilirubin (E,E)*"
Bilirubin
ME756922
129320511
-
-
-
"bilirubin (E,Z or Z,E)*"
Bilirubin
ME756923
5799469
C00486
-
-
biliverdin
Biliverdin
ME756871
5280353
C00500
-
-
campesterol
Campesterol
ME756900
173183
C01789
-
-
carotene diol (1)
Carotene diol
ME757090
-
-
-
-
carotene diol (2)
Carotene diol
ME757091
-
-
-
-
carotene diol (3)
Carotene diol
ME757092
-
-
-
-
"ceramide (d16:1/24:1, d18:1/22:1)*"
Cer 40:2;O2
ME757055
-
-
-
-
"ceramide (d18:1/14:0, d16:1/16:0)*"
Cer 36:1;O2
ME757057
-
-
-
-
"ceramide (d18:1/17:0, d17:1/18:0)*"
Cer 35:1;O2
ME757058
-
-
-
-
"ceramide (d18:2/24:1, d18:1/24:2)*"
Cer 42:3;O2
ME757059
-
-
-
-
cerotoylcarnitine (C26)*
CAR 26:0
ME757078
53477828
-
-
-
cholesterol
Cholesterol
ME756872
-
C00187
-
-
"cis-3,4-methyleneheptanoylcarnitine"
-
ME757102
-
-
-
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME756929
57357170
-
-
-
decanoylcarnitine (C10)
CAR 10:0
ME756897
10245190
-
-
-
"diacylglycerol (14:0/18:1, 16:0/16:1) [1]*"
-
ME757030
-
-
-
-
"diacylglycerol (14:0/18:1, 16:0/16:1) [2]*"
-
ME757031
-
-
-
-
"diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*"
-
ME757035
-
-
-
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)*
CAR 20:3
ME757083
-
-
-
-
dihomo-linoleoylcarnitine (C20:2)*
CAR 20:2
ME757082
-
-
-
-
docosahexaenoylcarnitine (C22:6)*
CAR 22:6
ME757085
-
-
-
-
docosahexaenoylcholine
-
ME757015
-
-
-
-
docosapentaenoylcarnitine (C22:5n3)*
CAR 22:5
ME757088
71464594
-
-
-
D-urobilin
D-Urobilin
ME756931
5280820
C05795
-
-
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME757081
-
-
-
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME756981
-
"C14152,C02483"
-
-
"glycosyl ceramide (d18:1/20:0, d16:1/22:0)*"
HexCer 38:1;O2
ME757089
-
-
-
-
"glycosyl ceramide (d18:1/23:1, d17:1/24:1)*"
HexCer 41:2;O2
ME757062
-
-
-
-
"glycosyl ceramide (d18:2/24:1, d18:1/24:2)*"
HexCer 42:3;O2
ME757060
-
-
-
-
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...
-
ME757063
-
-
-
-
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*
HexCer 18:2;O2/22:0
ME757046
-
-
-
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME757012
-
-
-
-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
HexCer 18:1;O2/18:0
ME756921
-
-
-
-
glycosyl-N-tricosanoyl-sphingadienine (d18:2/23:0)...
-
ME757061
-
-
-
-
heme
Heme
ME756904
26945
C00032
-
-
hexadecasphingosine (d16:1)*
C16 Sphingosine
ME757054
14767871
-
-
-
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**
-
ME757097
-
-
-
-
lactosyl-N-arachidoyl-sphingosine (d18:1/20:0)*
-
ME757053
53481000
C01290
-
-
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*
LacCer 18:1;O2/22:0
ME757045
44260143
-
-
-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*
LacCer 18:1;O2/24:1
ME757044
-
-
-
-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)
LacCer 18:1;O2/16:0
ME756992
53477895
-
-
-
lactosyl-N-stearoyl-sphingosine (d18:1/18:0)*
LacCer 18:1;O2/18:0
ME757039
10260120
-
-
-
laurylcarnitine (C12)
CAR 12:0
ME756906
168381
-
-
-
lignoceroylcarnitine (C24)*
CAR 24:0
ME757077
-
-
-
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME756956
-
-
-
-
linolenoylcarnitine (C18:3)*
CAR 18:3
ME757074
-
-
-
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*
DG 18:2_20:4
ME757023
9543796
-
-
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*
DG 18:2_20:4
ME757024
9543796
-
-
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME756938
6450015
-
-
-
linoleoylcholine*
alpha-Linoleoylcholine
ME757065
53481656
-
-
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]...
DG 18:2_22:6
ME757028
9543899
-
-
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*
DG 18:2_18:3
ME757027
9543737
-
-
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME757036
9543729
-
-
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*
DG 18:2_18:2
ME757037
9543729
-
-
-
L-urobilin
L-Urobilin
ME756930
5280818
C05793
-
-
margaroylcarnitine (C17)*
CAR 17:0
ME756939
53477803
-
-
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME756949
129691961
-
-
-
myristoylcarnitine (C14)
CAR 14:0
ME756901
6426854
-
-
-
myristoyl dihydrosphingomyelin (d18:0/14:0)*
SM 18:0;O2/14:0
ME756993
44260138
-
-
-
myristoyl-linoleoyl-glycerol (14:0/18:2) [1]*
DG 14:0_18:2
ME757051
14275352
-
-
-
myristoyl-linoleoyl-glycerol (14:0/18:2) [2]*
DG 14:0_18:2
ME757052
14275352
-
-
-
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...
-
ME757048
72715801
-
-
-
nervonoylcarnitine (C24:1)*
CAR 24:1
ME757086
-
-
-
-
nonanoylcarnitine (C9)
CAR 9:0
ME756958
91825642
-
-
-
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*
-
ME757056
-
-
-
-
N-palmitoyl-sphingadienine (d18:2/16:0)*
Cer 18:2;O2/16:0
ME757042
-
-
-
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME756991
5283572
-
-
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME756882
5283564
-
-
-
N-stearoyl-sphingadienine (d18:2/18:0)*
Cer 18:2;O2/18:0
ME757047
132282053
-
-
-
N-stearoyl-sphinganine (d18:0/18:0)*
Cer 18:0;O2/18:0
ME756876
5283573
-
-
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME756888
5283565
-
-
-
octadecanedioylcarnitine (C18-DC)*
CAR DC18:0
ME756948
-
-
-
-
octadecenedioylcarnitine (C18:1-DC)*
CAR DC18:1
ME756947
-
-
-
-
octanoylcarnitine (C8)
CAR 8:0
ME756896
-
C02838
-
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*
DG 18:1_20:4
ME757032
9543786
-
-
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*
DG 18:1_20:4
ME757033
9543786
-
-
-
oleoylcarnitine (C18:1)
CAR 18:1
ME756909
6441392
-
-
-
oleoylcholine
Oleoylcholine
ME757013
59040790
-
-
-
oleoyl ethanolamide
Oleoyl-EA
ME756879
5283454
-
-
-
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*
-
ME757038
14275403
-
-
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME756934
14275396
-
-
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME756935
71433693
-
-
-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*
DG 18:1_18:1
ME757021
9543716
-
-
-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*
DG 18:1_18:1
ME757022
9543716
-
-
-
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]...
DG 16:1_20:4
ME757050
-
-
-
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME757018
71464547
-
-
-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*
DG 16:1_18:2
ME757029
9543699
-
-
-
palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]*
DG 16:1_18:1
ME756995
71768100
-
-
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*
DG 16:0_20:4
ME757025
9543736
-
-
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*
DG 16:0_20:4
ME757026
9543736
-
-
-
palmitoylcarnitine (C16)
CAR 16:0
ME756894
461
C02990
-
-
palmitoylcholine
Palmitoylcholine
ME757011
151731
-
-
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME756967
9939965
-
-
-
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]...
DG 16:0_22:6
ME757043
9543827
-
-
-
palmitoyl ethanolamide
Palmitoyl-EA
ME756881
4671
C16512
-
-
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*
DG 16:0_18:3
ME757034
-
-
-
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*
DG 16:0_18:2
ME756994
9543695
-
-
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*
DG 16:0_18:2
ME756996
131801744
-
-
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*
DG 16:0_18:1
ME757019
5282283
C13861
-
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*
DG 16:0_18:1
ME757020
5282283
C13861
-
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME756926
9939941
-
-
-
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...
EPC 18:1;O2/16:0
ME757101
-
-
-
-
pentadecanoylcarnitine (C15)*
CAR 15:0
ME757084
123132011
-
-
-
piperine
Piperine
ME756899
638024
C03882
-
-
retinal
Retinal
ME756940
638015
C00376
-
-
retinol (Vitamin A)
Retinol
ME756875
445354
C00473
-
-
sphingadienine
Sphingadienine
ME757049
6449795
-
-
-
sphinganine
Sphinganine
ME756874
3126
C00836
-
-
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME756920
520
-
-
-
"sphingomyelin (d17:1/14:0, d16:1/15:0)*"
SM 31:1;O2
ME757096
-
-
-
-
"sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0...
SM 33:1;O2
ME756957
-
-
-
-
"sphingomyelin (d17:2/16:0, d18:2/15:0)*"
SM 33:2;O2
ME757073
-
-
-
-
"sphingomyelin (d18:0/18:0, d19:0/17:0)*"
SM 36:0;O2
ME756990
44260130
-
-
-
"sphingomyelin (d18:0/20:0, d16:0/22:0)*"
SM 38:0;O2
ME757066
-
-
-
-
"sphingomyelin (d18:1/14:0, d16:1/16:0)*"
SM 32:1;O2
ME756941
11433862
-
-
-
"sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0...
SM 35:1;O2
ME756965
46891763
-
-
-
"sphingomyelin (d18:1/18:1, d18:2/18:0)"
SM 36:2;O2
ME756925
6443882
-
-
-
"sphingomyelin (d18:1/19:0, d19:1/18:0)*"
SM 37:1;O2
ME757067
-
-
-
-
"sphingomyelin (d18:1/20:0, d16:1/22:0)*"
SM 38:1;O2
ME756950
44260124
-
-
-
"sphingomyelin (d18:1/20:1, d18:2/20:0)*"
SM 38:2;O2
ME756951
-
-
-
-
"sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2...
-
ME756952
-
-
-
-
"sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0...
SM 39:1;O2
ME756988
-
-
-
-
"sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1...
SM 40:2;O2
ME756954
-
-
-
-
"sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2...
SM 40:3;O2
ME756955
-
-
-
-
"sphingomyelin (d18:1/24:1, d18:2/24:0)*"
SM 42:2;O2
ME756946
44260126
-
-
-
"sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0...
SM 43:1;O2
ME757072
-
-
-
-
"sphingomyelin (d18:2/14:0, d18:1/14:1)*"
SM 32:2;O2
ME756945
-
-
-
-
"sphingomyelin (d18:2/16:0, d18:1/16:1)*"
SM 34:2;O2
ME756942
-
-
-
-
sphingomyelin (d18:2/18:1)*
SM 18:2;O2/18:1
ME757068
52931155
-
-
-
"sphingomyelin (d18:2/21:0, d16:2/23:0)*"
SM 39:2;O2
ME757070
-
-
-
-
"sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1...
SM 41:2;O2
ME756969
134757653
-
-
-
sphingomyelin (d18:2/23:1)*
SM 18:2;O2/23:1
ME757071
-
-
-
-
"sphingomyelin (d18:2/24:1, d18:1/24:2)*"
SM 42:3;O2
ME756970
85336023
-
-
-
sphingomyelin (d18:2/24:2)*
SM 18:2;O2/24:2
ME757069
-
-
-
-
sphingosine
Sphingosine
ME756873
5280335
C00319
-
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME756890
5283560
C06124
-
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*
DG 18:0_20:4
ME757040
6438587
C00165
-
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*
DG 18:0_20:4
ME757041
6438587
-
-
-
stearoylcarnitine (C18)
CAR 18:0
ME756905
3006797
-
-
-
stearoylcholine*
Stearoylcholine
ME757064
90111
-
-
-
stearoyl ethanolamide
Stearoyl-EA
ME756928
27902
-
-
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME756886
6453725
C00550
-
-
tricosanoyl sphingomyelin (d18:1/23:0)*
SM 18:1;O2/23:0
ME756968
-
-
-
-
undecenoylcarnitine (C11:1)
CAR 11:1
ME757098
-
-
-
-
ximenoylcarnitine (C26:1)*
CAR 26:1
ME757079
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME757245
5312435
-
-
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME757244
5312513
-
-
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME757232
14891
C13910
-
-
11beta-hydroxyandrosterone glucuronide
-
ME757529
-
-
-
-
11beta-hydroxyetiocholanolone glucuronide*
-
ME757530
-
-
-
-
11-ketoetiocholanolone glucuronide
-
ME757396
-
-
-
-
"12,13-DiHOME"
12,13-DiHOME
ME757104
10236635
C14829
-
-
"1,2,3-benzenetriol sulfate (2)"
-
ME757435
-
-
-
-
"1,3,7-trimethylurate"
1,3,7-Trimethyluric acid
ME757255
79437
C16361
-
-
"1,3-dimethylurate"
1,3-Dimethyluric acid
ME757221
70346
-
-
-
13-HODE + 9-HODE
HODE
ME757337
-
"C14767,C14762"
-
-
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME757353
-
C16995
-
-
"1,5-anhydroglucitol (1,5-AG)"
1,5-Anhydrosorbitol
ME757188
64960
C07326
-
-
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME757332
20848950
-
-
-
16-hydroxypalmitate
Juniperic acid
ME757356
10466
C18218
-
-
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME757342
3083779
-
-
-
17alpha-hydroxypregnanolone glucuronide
-
ME757398
-
-
-
-
17alpha-hydroxypregnenolone 3-sulfate
-
ME757333
152971
-
-
-
"1,7-dimethylurate"
1,7-Dimethyluric acid
ME757257
91611
C16356
-
-
1-arachidonoyl-GPA (20:4)
LPA 20:4/0:0
ME757384
42607498
-
-
-
1-arachidonoyl-GPI* (20:4)*
LPI 20:4/0:0
ME757287
121596217
-
-
-
1-arachidonylglycerol (20:4)
MG 20:4
ME757265
-
C13857
-
-
1-carboxyethylisoleucine
1-Carboxyethylisoleucine
ME757516
-
-
-
-
1-carboxyethylleucine
1-Carboxyethylleucine
ME757515
-
-
-
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME757512
59100900
-
-
-
1-carboxyethyltyrosine
1-Carboxyethyltyrosine
ME757513
-
-
-
-
1-carboxyethylvaline
1-Carboxyethylvaline
ME757514
-
-
-
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME757414
-
-
-
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME757271
53480995
-
-
-
1H-indole-7-acetic acid
1H-Indole-7-acetic acid
ME757390
18356439
-
-
-
1-linolenoylglycerol (18:3)
MG 18:3
ME757266
53480978
-
-
-
1-linoleoylglycerol (18:2)
MG 18:2
ME757213
5283469
-
-
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME757455
-
-
-
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME757456
-
-
-
-
1-linoleoyl-GPI* (18:2)*
LPI 18:2/0:0
ME757302
11124828
-
-
-
1-methylxanthine
1-Methylxanthine
ME757259
80220
C16358
-
-
1-myristoylglycerol (14:0)
MG 16:3
ME757285
10957631
C01885
-
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME757205
5283468
-
-
-
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME757301
86289645
-
-
-
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME757450
-
-
-
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME757198
14900
-
-
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME757267
6419701
C04036
-
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME757399
3300276
-
-
-
1-palmitoyl-GPI* (16:0)
LPI 16:0/0:0
ME757288
71296207
-
-
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME757189
-
-
-
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME757382
74819135
-
-
-
21-hydroxypregnanolone disulfate
-
ME757413
-
-
-
-
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME757313
134595
-
-
-
"2,2'-Methylenebis(6-tert-butyl-p-cresol)"
-
ME757506
8398
-
-
-
"2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*"
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
ME757542
-
-
-
-
"2,4-di-tert-butylphenol"
2,4-Ditert-butylphenol
ME757571
-
-
-
-
"(2,4 or 2,5)-dimethylphenol sulfate"
-
ME757527
-
-
-
-
2-aminooctanoate
2-Aminocaprylic acid
ME757378
69522
-
-
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME757380
181670
-
-
-
2-butenoylglycine
2-Butenoylglycine
ME757476
6303498
-
-
-
2'-deoxyuridine
Deoxyuridine
ME757135
13712
C00526
-
-
2-ethylphenylsulfate
-
ME757304
-
-
-
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME757274
164623
-
-
-
2-hydroxyarachidate*
2-Hydroxyeicosanoic acid
ME757480
5225199
-
-
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME757469
193484
-
-
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME757372
21488
-
-
-
2-hydroxyfluorene sulfate
-
ME757533
-
-
-
-
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME757171
10253
C07588
-
-
2-hydroxynervonate*
Hydroxynervonic acid
ME757470
5312783
-
-
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME757194
-
-
-
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME757276
-
-
-
-
2-hydroxyphytanate*
2-Hydroxyphytanic acid
ME757383
189026
-
-
-
2-hydroxysebacate
2-Hydroxy-decanedioic acid
ME757508
128458
-
-
-
2-ketocaprylate
2-Keto-octanoic acid
ME757537
67600
-
-
-
2-linoleoylglycerol (18:2)
MG 18:2
ME757209
5365676
-
-
-
2-methoxyhydroquinone sulfate (1)
-
ME757569
-
-
-
-
2-methoxyhydroquinone sulfate (2)
-
ME757570
-
-
-
-
2-methoxyresorcinol sulfate
2-Methylpyrogallol sulfate
ME757420
-
-
-
-
2-methylbutyrylglycine (C5)
2-Methylbutyrylglycine
ME757227
193872
-
-
-
2-methylcitrate/homocitrate
Homocitric acid
ME757446
-
C01251
-
-
2-naphthol sulfate
2-Naphthyl sulfate
ME757526
74428
-
-
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME757207
5319879
-
-
-
2'-O-methyluridine
2'-O-Methyluridine
ME757465
102212
-
-
-
(2 or 3)-decenoate (10:1n7 or n8)
Decenoic acid
ME757557
-
-
-
-
2-palmitoyl-GPC* (16:0)*
LPC 0:0/16:0
ME757275
15061532
-
-
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME757368
-
-
-
-
3-(3-amino-3-carboxypropyl)uridine*
3-(3-amino-3-carboxypropyl)uridine
ME757264
171198
-
-
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME757286
91
C11457
-
-
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME757395
187488
-
-
-
3-(4-hydroxyphenyl)lactate (HPLA)
4-Hydroxyphenyllactic acid
ME757117
9378
C03672
-
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME757352
10394
C01744
-
-
"3,7-dimethylurate"
3,7-Dimethyluric acid
ME757256
83126
C16360
-
-
3-acetylphenol sulfate
3-Acetylphenol sulfate
ME757381
-
-
-
-
"3beta,7alpha-dihydroxy-5-cholestenoate"
3beta,7alpha-Dihydroxy-5-cholestenoic acid
ME757281
3081084
C17335
-
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME757434
165511
C17333
-
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME757376
92997
-
-
-
"3-bromo-5-chloro-2,6-dihydroxybenzoic acid*"
3-Bromo-5-chloro-2,6-dihydroxybenzoic acid
ME757562
134581543
-
-
-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ME757487
194501
-
-
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME757228
123979
-
-
-
3-ethylcatechol sulfate (1)
-
ME757540
-
-
-
-
3-ethylcatechol sulfate (2)
-
ME757541
-
-
-
-
3-hydroxy-2-methylpyridine sulfate
-
ME757545
-
-
-
-
3-hydroxycotinine glucuronide
trans-3-Hydroxycotinine glucuronide
ME757385
53477725
-
-
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME757210
26612
-
-
-
3-hydroxydodecanedioate*
3-Hydroxy-dodecanedioic acid
ME757270
16663321
-
-
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME757433
151492
-
-
-
3-hydroxyhippurate
3-Hydroxyhippuric acid
ME757331
450268
-
-
-
3-hydroxyhippurate sulfate
-
ME757509
186339
-
-
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME757222
94216
-
-
-
3-hydroxymyristate
3-Hydroxytetradecanoic acid
ME757204
16064
-
-
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME757195
26613
C20793
-
-
3-hydroxyphenylacetoylglutamine
-
ME757478
-
-
-
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME757409
-
-
-
-
3-indoleglyoxylic acid
-
ME757505
73863
-
-
-
3-indoxyl sulfate
Indoxyl sulfate
ME757186
10258
-
-
-
3-methoxycatechol sulfate (1)
-
ME757436
129892430
-
-
-
3-methoxycatechol sulfate (2)
-
ME757437
-
-
-
-
3-methoxytyramine sulfate
3-Methoxytyramine sulfate
ME757391
54133459
-
-
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME757206
49
C00141
-
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME757178
-
"C03465,C06008,C00671"
-
-
3-methyl catechol sulfate (1)
-
ME757375
118431379
-
-
-
3-methyl catechol sulfate (2)
-
ME757373
-
-
-
-
3-methylhistidine
3-Methylhistidine
ME757179
64969
C01152
-
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME757175
107
C05629
-
-
4-acetamidobenzoate
4-Acetamidobenzoic acid
ME757463
6918889
D03836
-
-
4-acetylphenyl sulfate
4-Acetylphenyl sulfate
ME757193
4684006
-
-
-
4-allylcatechol sulfate
-
ME757532
-
-
-
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME757305
66633409
-
-
-
4-chlorobenzoic acid
4-Chlorobenzoic acid
ME757568
6318
C02370
-
-
4-ethylcatechol sulfate
-
ME757528
-
-
-
-
4-ethylphenyl sulfate
4-Ethylphenol
ME757298
20822574
C13637
-
-
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME757202
135
C00156
-
-
4-hydroxychlorothalonil
4-Hydroxychlorothalonil
ME757406
34217
-
-
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME757262
151012
-
-
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME757109
127
C00642
-
-
4-hydroxyphenylacetylglutamine
4-Hydroxyphenylacetylglutamine
ME757464
-
-
-
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME757161
979
C01179
-
-
4-methoxyphenol sulfate
4-Methoxyphenol sulfate
ME757426
-
-
-
-
4-methyl-2-oxopentanoate
Ketoleucine
ME757187
70
C00233
-
-
4-methylcatechol sulfate
4-Methylcatechol 1-sulfate
ME757374
54104170
-
-
-
4-methylguaiacol sulfate
-
ME757410
-
-
-
-
4-vinylguaiacol sulfate
4-Vinylguaiacol sulfate
ME757416
53803570
-
-
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME757297
6426766
C05627
-
-
"5,6-dihydrouracil"
Dihydrouracil
ME757157
649
C00429
-
-
"5,6-dihydrouridine"
5,6-Dihydrouridine
ME757263
94312
-
-
-
"5alpha-androstan-3alpha,17alpha-diol disulfate"
-
ME757314
-
-
-
-
"5alpha-androstan-3alpha,17alpha-diol monosulfate"
-
ME757315
-
-
-
-
"5alpha-androstan-3alpha,17beta-diol disulfate"
5alpha-Androstan-3alpha,17beta-diol disulfate
ME757319
56639109
-
-
-
"5alpha-androstan-3alpha,17beta-diol monosulfate (...
-
ME757320
-
-
-
-
"5alpha-androstan-3alpha,17beta-diol monosulfate (...
-
ME757404
121596225
-
-
-
"5alpha-androstan-3beta,17alpha-diol disulfate"
5alpha-Androstan-3beta,17alpha-diol disulfate
ME757321
56639109
-
-
-
"5alpha-androstan-3beta,17beta-diol disulfate"
5alpha-Androstane-3beta,17beta-diol
ME757306
90186325
C12525
-
-
"5alpha-androstan-3beta,17beta-diol monosulfate (2...
-
ME757322
-
-
-
-
"5alpha-pregnan-3beta,20alpha-diol disulfate"
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME757307
118703093
-
-
-
"5alpha-pregnan-3beta,20alpha-diol monosulfate (2)...
-
ME757317
-
-
-
-
"5alpha-pregnan-3beta,20beta-diol monosulfate (1)"
-
ME757316
-
-
-
-
"5alpha-pregnan-3beta-ol,20-one sulfate"
-
ME757327
-
-
-
-
5alpha-pregnan-diol disulfate
-
ME757318
-
-
-
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME757238
5312378
-
-
-
5-hydroxy-2-methylpyridine sulfate
-
ME757544
-
-
-
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME757224
170748
-
-
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME757105
1826
C05635
-
-
5-hydroxyindole sulfate
-
ME757451
-
-
-
-
5-hydroxymethyl-2-furoic acid
Sumiki's acid
ME757369
80642
C20448
-
-
5-methyluridine (ribothymidine)
Ribothymidine
ME757268
445408
-
-
-
5-oxoproline
Pyroglutamic acid
ME757147
-
"C02237,C01879"
-
-
6-bromotryptophan
6-Bromotryptophan
ME757510
9856996
-
-
-
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME757425
122198196
-
-
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME757386
3014237
-
-
-
7-HOCA
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME757280
3081085
C17337
-
-
7-hydroxyindole sulfate
-
ME757452
-
-
-
-
8-methoxykynurenate
-
ME757504
76230
C05830
-
-
"9,10-DiHOME"
9,10-DiHOME
ME757110
9966640
C14828
-
-
9-hydroxystearate
9-Hydroxy stearic acid
ME757400
9570127
-
-
-
acesulfame
Acesulfame
ME757422
36573
-
-
-
acisoga
Acisoga
ME757388
129397
-
-
-
aconitate [cis or trans]
cis-Aconitic acid
ME757254
-
"C004174,C02341"
-
-
ADpSGEGDFXAEGGGVR*
-
ME757251
132993923
-
-
-
adrenate (22:4n6)
Adrenic acid
ME757231
-
C16527
-
-
ADSGEGDFXAEGGGVR*
-
ME757249
25081464
-
-
-
alpha-CEHC glucuronide*
-
ME757357
134819285
-
-
-
alpha-CEHC sulfate
alpha-CEHC sulfate
ME757402
-
-
-
-
alpha-CMBHC glucuronide
-
ME757403
-
-
-
-
alpha-hydroxycaproate
2-Hydroxyhexanoic acid
ME757292
99824
-
-
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME757191
-
C03264
-
-
"androstenediol (3alpha, 17alpha) monosulfate (2)"
-
ME757323
-
-
-
-
"androstenediol (3alpha, 17alpha) monosulfate (3)"
-
ME757324
-
-
-
-
"androstenediol (3beta,17beta) disulfate (1)"
-
ME757310
87120982
C04295
-
-
"androstenediol (3beta,17beta) disulfate (2)"
-
ME757312
87120982
-
-
-
"androstenediol (3beta,17beta) monosulfate (1)"
-
ME757325
-
-
-
-
"androstenediol (3beta,17beta) monosulfate (2)"
-
ME757326
-
-
-
-
andro steroid monosulfate C19H28O6S (1)*
-
ME757335
159663
-
-
-
androsterone glucuronide
Androsterone 3-glucuronide
ME757347
114833
C11135
-
-
androsterone sulfate
5alpha-Androstane-3alpha-ol-17-one sulfate
ME757216
159663
-
-
-
anserine
Anserine
ME757180
112072
C01262
-
-
arachidate (20:0)
Arachidic acid
ME757142
10467
C06425
-
-
arachidonate (20:4n6)
Arachidonic acid
ME757116
444899
C00219
-
-
benzoate
Benzoic acid
ME757174
243
C00180
-
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME757362
189741
C20775
-
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME757166
69362
-
-
-
"bilirubin degradation product, C16H18N2O5 (1)**"
-
ME757573
-
-
-
-
"bilirubin degradation product, C16H18N2O5 (2)**"
-
ME757574
-
-
-
-
"bilirubin degradation product, C16H18N2O5 (3)**"
-
ME757581
-
-
-
-
"bilirubin degradation product, C16H18N2O5 (4)**"
-
ME757582
-
-
-
-
"bilirubin degradation product, C17H18N2O4 (1)**"
-
ME757575
-
-
-
-
"bilirubin degradation product, C17H18N2O4 (2)**"
-
ME757576
-
-
-
-
"bilirubin degradation product, C17H18N2O4 (3)**"
-
ME757577
-
-
-
-
"bilirubin degradation product, C17H20N2O5 (1)**"
-
ME757578
-
-
-
-
"bilirubin degradation product, C17H20N2O5 (2)**"
-
ME757579
-
-
-
-
branched chain 14:0 dicarboxylic acid**
-
ME757556
-
-
-
-
"branched-chain, straight-chain, or cyclopropyl 10...
-
ME757560
-
-
-
-
"branched-chain, straight-chain, or cyclopropyl 10...
-
ME757561
-
-
-
-
"branched-chain, straight-chain, or cyclopropyl 12...
-
ME757563
-
-
-
-
butyrate/isobutyrate (4:0)
Butyric acid
ME757162
264
C00246
-
-
butyrylglycine (C4)
N-Butyrylglycine
ME757226
88412
-
-
-
caprate (10:0)
Capric acid
ME757139
2969
C01571
-
-
caproate (6:0)
Caproic acid
ME757144
8892
C01585
-
-
caprylate (8:0)
Caprylic acid
ME757145
379
C06423
-
-
catechol glucuronide
-
ME757460
75124209
-
-
-
catechol sulfate
Catechol sulfate
ME757279
3083879
-
-
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME757438
10981970
-
-
-
chenodeoxycholate
Chenodeoxycholic acid
ME757155
10133
C02528
-
-
chenodeoxycholic acid sulfate (1)
Chenodeoxycholic acid sulfate
ME757559
21252308
-
-
-
cholate
Cholic acid
ME757108
221493
C00695
-
-
cinnamoylglycine
Cinnamoylglycine
ME757341
709625
-
-
-
"cis-3,4-methyleneheptanoate"
-
ME757567
-
-
-
-
"cis-3,4-methyleneheptanoylglycine"
-
ME757572
-
-
-
-
cis-4-decenoate (10:1n6)*
4Z-Decenoic acid
ME757348
5282726
-
-
-
citrate
Citric acid
ME757156
311
C00158
-
-
corticosterone
Corticosterone
ME757119
5753
C02140
-
-
cortisol
Cortisol
ME757124
5754
C00735
-
-
cortisol 21-sulfate
Cortisol 21-sulfate
ME757546
102172
-
-
-
cortisone
Cortisone
ME757120
222786
C00762
-
-
cortolone glucuronide (1)
-
ME757475
-
-
-
-
daidzein
Daidzein
ME757235
5281708
C10208
-
-
daidzein 7-O-glucuronide
Daidzein 7-O-glucuronide
ME757492
11316354
-
-
-
daidzein sulfate (1)
-
ME757431
12114465
-
-
-
daidzein sulfate (2)
-
ME757432
12114465
-
-
-
decadienedioic acid (C10:2-DC)**
-
ME757564
17789717
-
-
-
dehydroepiandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME757197
12594
C04555
-
-
delta-CEHC
-
ME757511
35027084
-
-
-
deoxycholate
Deoxycholic acid
ME757121
-
C04483
-
-
deoxycholic acid 12-sulfate*
-
ME757565
-
-
-
-
deoxycholic acid glucuronide
-
ME757531
-
-
-
-
dihomolinoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME757164
6439848
C16525
-
-
dihomolinolenate (20:3n3 or 3n6)
Eicosatrienoic acid
ME757296
5280581
C03242
-
-
dihydroferulate
Dihydroferulic acid
ME757364
14340
-
-
-
dihydroferulic acid sulfate
Dihydroferulic acid 4-sulfate
ME757501
187489
-
-
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME757230
5282807
C16533
-
-
docosadioate (C22-DC)
Docosanedioic acid
ME757355
7641
C14240
-
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME757190
445580
C06429
-
-
docosapentaenoate (DPA; 22:5n3)
DPA
ME757229
6441454
C16513
-
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME757277
6441454
C16513
-
-
dodecadienoate (12:2)*
Dodecadienoic acid
ME757517
25480
-
-
-
dodecanedioate (C12)
Dodecanedioic acid
ME757219
12736
C02678
-
-
dodecenedioate (C12:1-DC)*
Traumatic acid
ME757481
5283028
-
-
-
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME757430
122136
C13690
-
-
dopamine 4-sulfate
Dopamine 4-sulfate
ME757429
68517194
C13691
-
-
DSGEGDFXAEGGGVR*
-
ME757250
132993922
-
-
-
EDTA
Edetic acid
ME757211
6049
C00284
-
-
eicosanedioate (C20-DC)
Eicosanedioic acid
ME757354
75502
-
-
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME757172
446284
C06428
-
-
eicosenoate (20:1n9 or 1n11)
cis-Gondoic acid
ME757252
-
C16526
-
-
epiandrosterone sulfate
Epiandrosterone
ME757247
9929317
C04555
-
-
equol sulfate
Equol 4'-sulfate
ME757363
-
-
-
-
erucate (22:1n9)
cis-Erucic acid
ME757152
-
C08316
-
-
estrone 3-sulfate
Estrone 3-sulfate
ME757163
3001028
C02538
-
-
ethyl alpha-glucopyranoside
-
ME757474
11127487
-
-
-
ethyl beta-glucopyranoside
-
ME757507
121667
-
-
-
ethyl glucuronide
Ethyl glucuronide
ME757349
18392195
-
-
-
ethyl maltol sulfate
-
ME757423
-
-
-
-
etiocholanolone glucuronide
Androsterone 3-glucuronide
ME757397
270605
-
-
-
eugenol sulfate
Eugenol sulfate
ME757418
180632
-
-
-
ferulic acid 4-sulfate
Ferulic acid 4-sulfate
ME757394
6305574
-
-
-
Fibrinopeptide B (1-13)**
-
ME757543
-
-
-
-
furaneol sulfate
Furaneol sulfate
ME757461
59815364
-
-
-
gamma-CEHC
gamma-CEHC
ME757329
133098
-
-
-
gamma-CEHC glucuronide*
gamma-CEHC glucuronide
ME757379
121596235
-
-
-
gamma-CEHC sulfate
-
ME757518
-
-
-
-
genistein sulfate*
-
ME757493
-
-
-
-
gentisate
Gentisic acid
ME757183
3469
C00628
-
-
GlcNAc sulfate conjugate of C21H34O2 steroid**
-
ME757566
-
-
-
-
glucuronide of C10H18O2 (1)*
-
ME757485
-
-
-
-
glucuronide of C10H18O2 (3)*
-
ME757486
-
-
-
-
glucuronide of C10H18O2 (7)*
-
ME757489
-
-
-
-
glucuronide of C10H18O2 (8)*
-
ME757490
-
-
-
-
glucuronide of piperine metabolite C17H21NO3 (3)*
-
ME757519
-
-
-
-
glucuronide of piperine metabolite C17H21NO3 (4)*
-
ME757520
-
-
-
-
glucuronide of piperine metabolite C17H21NO3 (5)*
-
ME757521
-
-
-
-
glutamine conjugate of C6H10O2 (1)*
-
ME757499
-
-
-
-
glutamine conjugate of C6H10O2 (2)*
-
ME757500
-
-
-
-
glutamine conjugate of C7H12O2*
-
ME757498
-
-
-
-
glycerol
Glycerol
ME757165
753
C00116
-
-
glycine conjugate of C10H12O2*
-
ME757496
-
-
-
-
glycine conjugate of C10H14O2 (1)*
-
ME757497
-
-
-
-
glycitein sulfate (2)
-
ME757547
-
-
-
-
glyco-beta-muricholate**
Gly-betaMCA
ME757495
-
-
-
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME757167
12544
C05466
-
-
glycochenodeoxycholate 3-sulfate
Glycochenodeoxycholic acid 3-sulfate
ME757440
-
-
-
-
glycochenodeoxycholate glucuronide (1)
Glycochenodeoxycholic acid 3-glucuronide
ME757459
44263370
-
-
-
glycocholate
Glycocholic acid
ME757122
10140
C01921
-
-
glycocholate glucuronide (1)
-
ME757458
44263357
-
-
-
glycocholate sulfate
-
ME757439
-
-
-
-
glycocholenate sulfate*
Glycocholenate sulfate
ME757308
-
-
-
-
glycodeoxycholate
Glycodeoxycholic acid
ME757182
3035026
C05464
-
-
glycodeoxycholate 3-sulfate
Glycodeoxycholic acid 3-sulfate
ME757441
101602538
-
-
-
glycohyocholate
Glycohyocholic acid
ME757370
71361462
-
-
-
glycolithocholate
Glycolithocholic acid
ME757214
115245
C15557
-
-
glycolithocholate sulfate*
Sulfoglycolithocholic acid
ME757289
72222
C11301
-
-
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME757350
12310288
-
-
-
glycoursodeoxycholic acid sulfate (1)
-
ME757534
-
-
-
-
guaiacol sulfate
Guaiacol sulfate
ME757377
22473
-
-
-
heneicosapentaenoate (21:5n3)
6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid
ME757473
11998573
-
-
-
HEPES
-
ME757201
23831
-
-
-
heptanoate (7:0)
Heptylic acid
ME757143
8094
C17714
-
-
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME757462
13932172
-
-
-
hexadecanedioate (C16)
Hexadecanedioic acid
ME757283
10459
C19615
-
-
hexadecenedioate (C16:1-DC)*
-
ME757482
-
-
-
-
hexanoylglutamine
Hexanoylglutamine
ME757294
-
-
-
-
hexanoylglycine (C6)
Hexanoylglycine
ME757273
99463
-
-
-
hippurate
Hippuric acid
ME757177
464
C01586
-
-
histidine
Histidine
ME757123
6274
C00135
-
-
homocarnosine
Homocarnosine
ME757103
-
C00884
-
-
homocitrulline
Homocitrulline
ME757208
65072
C02427
-
-
homovanillate (HVA)
Homovanillic acid
ME757107
1738
C05582
-
-
homovanillate sulfate
Homovanillic acid
ME757340
29981063
-
-
-
hydroxy-CMPF*
-
ME757477
-
-
-
-
hyocholate
Hyocholic acid
ME757246
92805
C17649
-
-
indole-3-carboxylate
Indole-3-carboxylic acid
ME757336
69867
C19837
-
-
indoleacetate
Indoleacetic acid
ME757212
802
C00954
-
-
indoleacetylglutamine
Indoleacetyl glutamine
ME757293
25200879
-
-
-
indolebutyrate
3-Indolebutyric acid
ME757258
8617
C11284
-
-
indolelactate
Indolelactic acid
ME757185
92904
C02043
-
-
indolepropionate
3-Indolepropionic acid
ME757217
3744
-
-
-
indoxyl glucuronide
Inodxyl glucuronide
ME757448
2733785
-
-
-
inosine
Inosine
ME757125
6021
C00294
-
-
isobutyrylglycine (C4)
Isobutyrylglycine
ME757278
10855600
-
-
-
isoeugenol sulfate
-
ME757407
122198202
-
-
-
isoleucylglycine
Ile-Gly
ME757359
342532
-
-
-
isoursodeoxycholate
Isoursodeoxycholic acid
ME757343
127601
C17662
-
-
isoursodeoxycholate sulfate (1)
-
ME757558
-
-
-
-
isovalerate (C5)
Isovaleric acid
ME757192
10430
C08262
-
-
isovalerylglycine
Isovalerylglycine
ME757269
546304
-
-
-
I-urobilinogen
Mesobilirubinogen
ME757236
9548718
C05789
-
-
kynurenate
Kynurenic acid
ME757106
3845
C01717
-
-
laurate (12:0)
Lauric acid
ME757112
3893
C02679
-
-
linoleate (18:2n6)
Linoleic acid
ME757111
5280450
C01595
-
-
linolenate (18:3n3 or 3n6)
Octadecatrienoic acid
ME757253
-
"C06426,C06427"
-
-
linoleoyl ethanolamide
Linoleoyl-EA
ME757445
5283446
-
-
-
lithocholate sulfate (1)
Lithocholic acid sulfate
ME757535
451489
-
-
-
lithocholic acid sulfate (2)
Lithocholic acid sulfate
ME757536
-
-
-
-
malate
Malic acid
ME757126
525
"C00149,C00711,C00497"
-
-
malonate
Malonic acid
ME757136
867
C00383
-
-
maltol sulfate
-
ME757411
-
-
-
-
margarate (17:0)
Margaric acid
ME757140
10465
-
-
-
metabolonic lactone sulfate
-
ME757554
-
-
-
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME757412
10657183
-
-
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME757401
-
-
-
-
methylnaphthyl sulfate (2)*
-
ME757488
-
-
-
-
myristate (14:0)
Myristic acid
ME757133
11005
C06424
-
-
myristoleate (14:1n5)
Myristoleic acid
ME757233
5281119
C08322
-
-
N-(2-furoyl)glycine
2-Furoylglycine
ME757218
21863
-
-
-
N6-acetyllysine
N6-Acetyllysine
ME757295
92832
C02727
-
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME757260
161466
-
-
-
N6-methyladenosine
N6-Methyladenosine
ME757115
102175
-
-
-
N6-succinyladenosine
Succinyladenosine
ME757291
165243
-
-
-
N-acetyl-2-aminooctanoate*
N-Acetyl-2-aminooctanoic acid
ME757491
95555
-
-
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME757339
193270
-
-
-
N-acetylalliin
N-Acetylalliin
ME757392
-
-
-
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME757330
76406
C01073
-
-
N-acetylisoleucine
N-Acetylisoleucine
ME757243
306109
-
-
-
N-acetylleucine
N-Acetylleucine
ME757149
70912
C02710
-
-
N-acetylmethionine
N-Acetylmethionine
ME757150
448580
C02712
-
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME757241
74839
C03519
-
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME757240
-
C03137
-
-
N-acetyltyrosine
N-Acetyltyrosine
ME757220
68310
-
-
-
N-acetylvaline
N-Acetylvaline
ME757151
66789
-
-
-
N-carbamoylvaline
-
ME757503
448879
-
-
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME757387
9920500
C00437
-
-
N-formylmethionine
N-Formylmethionine
ME757113
439750
C03145
-
-
N-formylphenylalanine
N-Formylphenylalanine
ME757405
-
-
-
-
N-oleoylserine
NA-Ser 18:1(9Z)
ME757472
44190514
-
-
-
N-oleoyltaurine
N-Oleoyl taurine
ME757358
6437033
-
-
-
nonadecanoate (19:0)
Nonadecenoic acid
ME757141
12591
C16535
-
-
N-palmitoylglycine
N-Palmitoyl glycine
ME757366
151008
-
-
-
N-palmitoylserine
N-Palmitoyl serine
ME757471
6453686
-
-
-
N-palmitoyltaurine
N-Palmitoyl taurine
ME757360
14504290
-
-
-
N-stearoyltaurine
N-Stearoyl taurine
ME757361
168274
-
-
-
o-cresol sulfate
o-Cresol sulfate
ME757303
11615528
-
-
-
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME757484
-
-
-
-
octadecanedioate (C18)
Octadecanedioic acid
ME757284
70095
-
-
-
octadecenedioate (C18:1-DC)
-
ME757483
9543674
-
-
-
oleate/vaccenate (18:1)
Oleic acid
ME757447
-
"C21944,C08367,C01712,C00712"
-
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME757393
514186
-
-
-
oxalate (ethanedioate)
Oxalic acid
ME757200
971
C00209
-
-
palmitate (16:0)
Palmitic acid
ME757127
985
C00249
-
-
palmitoleate (16:1n7)
Palmitoleic acid
ME757130
445638
C08362
-
-
pantoate
(R)-Pantoic acid
ME757345
5289105
C00522
-
-
pantothenate (Vitamin B5)
Pantothenic acid
ME757148
6613
C00864
-
-
paraxanthine
Paraxanthine
ME757184
4687
C13747
-
-
p-cresol glucuronide*
P-Cresol glucuronide
ME757421
154035
-
-
-
p-cresol sulfate
p-Cresol sulfate
ME757248
4615423
-
-
-
pelargonate (9:0)
Pelargonic acid
ME757128
8158
C01601
-
-
pentadecanoate (15:0)
Pentadecylic acid
ME757146
13849
C16537
-
-
perfluorooctanesulfonate (PFOS)
Perfluorooctanesulfonic acid
ME757468
74483
C18142
-
-
perfluorooctanoate (PFOA)
Perfluorooctanoic acid
ME757494
9554
-
-
-
phenol glucuronide
Phenyl glucuronide
ME757444
87235
-
-
-
phenol sulfate
Phenyl hydrogen sulfate
ME757272
74426
C02180
-
-
phenylacetate
Phenyl acetate
ME757176
999
C07086
-
-
phenylacetylglutamate
N-Phenylacetylglutamic acid
ME757454
11579826
-
-
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME757261
92258
C04148
-
-
phenylacetylglycine
Phenylacetylglycine
ME757242
68144
C05598
-
-
phenylacetylhistidine
-
ME757453
-
-
-
-
phenylacetylmethionine
Phenylacetylmethionine
ME757457
-
-
-
-
phenylacetylserine
-
ME757467
-
-
-
-
phenylacetyltaurine
-
ME757449
2179693
-
-
-
phenylacetylthreonine
-
ME757466
-
-
-
-
phenyllactate (PLA)
Phenyllactic acid
ME757196
3848
C05607
-
-
phenylpyruvate
Phenylpyruvic acid
ME757118
997
C00166
-
-
phytanate
Phytanic acid
ME757131
26840
C01607
-
-
picolinoylglycine
Picolinoylglycine
ME757552
11788622
-
-
-
pregnanediol-3-glucuronide
Pregnanediol-3-glucuronide
ME757365
123796
-
-
-
pregnanolone/allopregnanolone sulfate
3alpha-Hydroxy-5beta-pregnane-20-one
ME757419
-
C05480
-
-
pregnen-diol disulfate*
-
ME757311
-
-
-
-
pregnenediol sulfate (C21H34O5S)*
Pregnenolone sulfate
ME757328
105074
C18044
-
-
pregnenetriol disulfate*
-
ME757551
-
-
-
-
pregnenetriol sulfate*
-
ME757550
129671303
-
-
-
pregnenolone sulfate
Pregnenolone sulfate
ME757334
105074
C18044
-
-
propionylglycine (C3)
Propionylglycine
ME757225
98681
-
-
-
propyl 4-hydroxybenzoate sulfate
-
ME757427
131838881
-
-
-
pseudouridine
Pseudouridine
ME757137
15047
C02067
-
-
pyridoxate
4-Pyridoxic acid
ME757223
6723
C00847
-
-
pyrraline
Pyrraline
ME757300
14274616
C21013
-
-
riboflavin (Vitamin B2)
Riboflavin
ME757132
493570
C00255
-
-
S-(3-hydroxypropyl)mercapturic acid (HPMA)
N-Acetyl-S-(3-hydroxypropyl)-cysteine
ME757389
119083
-
-
-
saccharin
Saccharin
ME757203
5143
C12283
-
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME757114
439155
C00021
-
-
sebacate (C10-DC)
Sebacic acid
ME757234
5192
C08277
-
-
S-methylcysteine
Methylcysteine
ME757346
-
-
-
-
stearate (18:0)
Stearic acid
ME757129
5281
C01530
-
-
stearidonate (18:4n3)
Stearidonic acid
ME757237
5312508
C16300
-
-
succinimide
Succinimide
ME757367
11439
C07273
-
-
sulfate*
Sulfate
ME757344
5152822
C00059
-
-
sulfate of piperine metabolite C16H19NO3 (2)*
-
ME757522
-
-
-
-
sulfate of piperine metabolite C16H19NO3 (3)*
-
ME757523
-
-
-
-
sulfate of piperine metabolite C18H21NO3 (1)*
-
ME757524
-
-
-
-
sulfate of piperine metabolite C18H21NO3 (3)*
-
ME757525
-
-
-
-
syringol sulfate
-
ME757424
-
-
-
-
tartarate
Tartaric acid
ME757181
-
"C00552,C02107,C00898"
-
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME757199
45
C02287
-
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME757239
-
-
-
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME757168
387316
C05465
-
-
taurochenodeoxycholic acid 3-sulfate
Taurochenodeoxycholic acid 3-sulfate
ME757548
52931550
-
-
-
taurocholate
Taurocholic acid
ME757169
-
C05122
-
-
taurocholenate sulfate*
Taurocholenate sulfate
ME757309
-
-
-
-
taurodeoxycholate
Taurodeoxycholic acid
ME757170
2733768
C05463
-
-
taurodeoxycholic acid 3-sulfate
Taurodeoxycholic acid 3-sulfate
ME757442
-
-
-
-
taurohyocholate*
Taurohyocholic acid
ME757371
11954195
C15516
-
-
taurolithocholate
Taurolithocholic acid
ME757215
439763
C02592
-
-
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME757290
440071
C03642
-
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME757351
9848818
-
-
-
tauroursodeoxycholic acid sulfate (1)
-
ME757538
-
-
-
-
tetradecadienedioate (C14:2-DC)*
-
ME757549
86018718
-
-
-
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME757502
5312409
-
-
-
tetradecanedioate (C14)
Tetradecanedioic acid
ME757282
13185
-
-
-
tetrahydrocortisol glucuronide
-
ME757580
-
-
-
-
tetrahydrocortisol sulfate (1)
-
ME757539
-
-
-
-
thymol sulfate
-
ME757299
12456386
C09908
-
-
thyroxine
Thyroxine
ME757153
5819
C01829
-
-
trans-2-hexenoylglycine
-
ME757479
-
-
-
-
"trans-3,4-methyleneheptanoate"
-
ME757443
-
-
-
-
tricarballylate
1,2,3-Propanetricarboxylic acid
ME757173
14925
C19806
-
-
tridecenedioate (C13:1-DC)*
-
ME757338
-
-
-
-
tyramine O-sulfate
Tyramine-O-sulfate
ME757408
153005
-
-
-
umbelliferone sulfate
Umbelliferone sulfate
ME757428
129659
-
-
-
uracil
Uracil
ME757138
1174
C00106
-
-
urate
Uric acid
ME757158
1175
C00366
-
-
uridine
Uridine
ME757134
6029
C00299
-
-
Urolithin B glucuronide
Urolithin B glucuronide
ME757553
-
-
-
-
ursodeoxycholate
Ursodeoxycholic acid
ME757159
31401
C07880
-
-
valerate (5:0)
Valeric acid
ME757160
7991
C00803
-
-
vanillactate
Vanillactic acid
ME757417
160637
-
-
-
vanillic acid glycine
-
ME757555
3083688
-
-
-
vanillic alcohol sulfate
Vanillyl alcohol 4-sulfate
ME757415
-
-
-
-
vanillylmandelate (VMA)
Vanillylmandelic acid
ME757154
1245
C05584
-
-
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
ME757645
677
C04039
-
-
2-hydroxy-4-(methylthio)butanoic acid
2-Hydroxy-4-(methylthio)butanoic acid
ME757672
11427
-
-
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME757627
193530
C02360
-
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME757661
-
"C21297,C05984"
-
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME757587
11970
C05852
-
-
2-isopropylmalate
2-Isopropylmalic acid
ME757617
77
C02504
-
-
2-O-methylascorbic acid
2-O-Methylascorbic acid
ME757650
54726398
-
-
-
2-oxoadipate
Oxoadipic acid
ME757583
71
C00322
-
-
"2R,3R-dihydroxybutyrate"
4-Deoxyerythronic acid
ME757643
13120901
-
-
-
"2S,3R-dihydroxybutyrate"
4-Deoxythreonic acid
ME757642
10964471
-
-
-
"3,4-dihydroxybutyrate"
3,4-Dihydroxybutyric acid
ME757637
150929
-
-
-
"3,5-dichloro-2,6-dihydroxybenzoic acid"
3,5-Dichloro-2,6-dihydroxybenzoic acid
ME757671
24721632
-
-
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME757628
188979
-
-
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME757586
-
C03761
-
-
3-hydroxyadipate
3-Hydroxy-adipic acid
ME757654
151913
-
-
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME757589
-
"C03197,C01089"
-
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME757585
11966314
"C01188,C06001"
-
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME757626
3017884
-
-
-
3-hydroxysuberate
3-Hydroxysuberic acid
ME757625
22328017
-
-
-
3-methyladipate
3-Methyladipic acid
ME757639
12292
-
-
-
3-methylglutaconate
3E-Methylglutaconic acid
ME757646
1551553
-
-
-
3'-sialyllactose
3'-Sialyllactose
ME757651
123914
-
-
-
4-hydroxy-2-oxoglutaric acid
4-Hydroxy-2-oxoglutaric acid
ME757648
599
C01127
-
-
5-acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME757634
88299
C16366
-
-
5-acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME757633
108214
C16365
-
-
adipate
Adipic acid
ME757622
196
C06104
-
-
allantoin
Allantoin
ME757607
-
"C02348,C01551,C02350"
-
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME757631
99823
-
-
-
alpha-ketobutyrate
3-Methyl pyruvic acid
ME757599
58
C00109
-
-
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME757644
48
C00940
-
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME757584
51
C00026
-
-
arabinose
Arabinose
ME757602
66308
C00216
-
-
arabitol/xylitol
Arabitol
ME757659
-
"C00379,C00542,C01904"
-
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME757658
-
"C00502,C05411"
-
-
ascorbic acid 2-sulfate
-
ME757663
54676864
-
-
-
ascorbic acid 3-sulfate*
-
ME757667
11425365
-
-
-
azelate (C9-DC)
Azelaic acid
ME757611
2266
C08261
-
-
caffeic acid sulfate
Caffeic acid sulfate
ME757664
21668705
-
-
-
chiro-inositol
1D-chiro-Inositol
ME757641
-
C19891
-
-
citraconate/glutaconate
Citraconic acid/Glutaconic acid
ME757660
-
"C02226,C02214"
-
-
cysteine s-sulfate
Cysteine-S-sulfate
ME757620
115015
C05824
-
-
dihydrocaffeate sulfate (2)
Dihydrocaffeic acid 3-sulfate
ME757669
-
-
-
-
dihydroorotate
4,5-Dihydroorotic acid
ME757605
648
C00337
-
-
erythritol
Erythritol
ME757621
222285
C00503
-
-
erythronate*
Erythronic acid
ME757632
2781043
-
-
-
ethylmalonate
Ethylmalonic acid
ME757613
11756
-
-
-
fructose
Fructose
ME757603
2723872
C00095
-
-
fumarate
Fumaric acid
ME757590
444972
C00122
-
-
gluconate
Gluconic acid
ME757591
-
C00257
-
-
glucose
Glucose
ME757598
5793
C00031
-
-
glucuronate
Glucuronic acid
ME757615
-
C16245
-
-
glutarate (C5-DC)
Glutaric acid
ME757592
-
C00489
-
-
glycerate
Glyceric acid
ME757609
-
C00258
-
-
gulonate*
Gulonic acid
ME757636
152304
C00800
-
-
heptenedioate (C7:1-DC)*
-
ME757666
-
-
-
-
hydantoin-5-propionate
Hydantoin-5-propionic acid
ME757647
782
C05565
-
-
isocitric lactone
Isocitric acid lactone
ME757662
98259
-
-
-
lactate
Lactic acid
ME757597
612
C00186
-
-
lactose
Lactose
ME757594
6134
C01970
-
-
lyxonate
D-Lyxonic acid
ME757665
-
-
-
-
maleate
Maleic acid
ME757619
444266
C01384
-
-
maltose
Maltose
ME757604
10991489
C00208
-
-
mannitol/sorbitol
Sorbitol
ME757638
-
"C00392,C00794"
-
-
mannonate*
Mannonic acid
ME757652
3246006
-
-
-
mannose
Mannose
ME757600
-
"C00159,C02209,C00936"
-
-
methylmalonate (MMA)
Methylmalonic acid
ME757595
487
C02170
-
-
methylsuccinate
Methylsuccinic acid
ME757612
10349
-
-
-
myo-inositol
Myo-inositol
ME757593
892
C00137
-
-
"N2,N5-diacetylornithine"
N2,N5-Diacetylornithine
ME757656
65977
-
-
-
N-acetylalanine
N-Acetylalanine
ME757610
88064
C02847
-
-
N-acetylglutamine
N-Acetylglutamine
ME757629
182230
C02716
-
-
N-acetylhistidine
N-Acetylhistidine
ME757630
75619
C02997
-
-
N-acetylserine
N-Acetylserine
ME757640
65249
-
-
-
N-acetyltaurine
N-Acetyltaurine
ME757657
159864
-
-
-
N-formylanthranilic acid
Formylanthranilic acid
ME757655
101399
C05653
-
-
N-methyltaurine
N-Methyltaurine
ME757653
7882
-
-
-
orotate
Orotic acid
ME757596
967
C00295
-
-
orotidine
Orotidine
ME757635
92751
-
-
-
pentose acid*
Valeric acid
ME757673
7991
C00803
-
-
pyruvate
Pyruvic acid
ME757601
1060
C00022
-
-
quinate
Quinic acid
ME757618
6508
C00296
-
-
ribitol
Ribitol
ME757616
6912
"C00379,C01904,C00474,C00532"
-
-
ribonate
Ribonic acid
ME757623
5460677
C01685
-
-
sedoheptulose
Glucoheptulose
ME757649
5459879
C02076
-
-
suberate (C8-DC)
Suberic acid
ME757614
10457
C08278
-
-
succinate
Succinic acid
ME757588
1110
C00042
-
-
succinoyltaurine
-
ME757670
-
-
-
-
sucrose
Sucrose
ME757606
5988
C00089
-
-
threonate
Threonic acid
ME757624
-
C01620
-
-
vanillate glucuronide
-
ME757668
-
-
-
-
xanthine
Xanthine
ME757608
1188
C00385
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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