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Return to study ST002754 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-(3-aminopropyl)-2-pyrrolidone
-
ME708040
82111
#N/A
-
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME707974
75810
C05828
-
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME708034
6451814
#N/A
-
-
1-methylguanidine
Methylguanidine
ME707954
10111
C02294
-
-
1-methylhistamine
1-Methylhistamine
ME707972
3614
C05127
-
-
1-methylhistidine
1-Methylhistidine
ME707962
92105
C01152
-
-
1-methylnicotinamide
1-Methyl nicotinamide
ME707856
457
C02918
-
-
1-ribosyl-imidazoleacetate*
Imidazoleacetic acid riboside
ME708013
440569
C05131
-
-
2-aminobutyrate
2-Aminobutyric acid
ME707926
80283
C02356
-
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME708053
227939
#N/A
-
-
2'-deoxycytidine
Deoxycytidine
ME707944
13711
C00881
-
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME708021
43
C02630
-
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME708003
6426901
#N/A
-
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME708068
150971
#N/A
-
-
2-oxindole-3-acetate
2-Oxindole-3-acetate
ME708036
3080590
#N/A
-
-
2-oxoarginine*
2-Oxoarginine
ME708033
558
C03771
-
-
2-pyrrolidinone
2-Pyrrolidinone
ME707965
12025
#N/A
-
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME708077
5200225
#N/A
-
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME707925
64956
C05145
-
-
3-hydroxybutyroylglycine**
-
ME708074
-
#N/A
-
-
3-hydroxyoctanoylcarnitine (1)
CAR 8:0;3OH
ME708088
-
#N/A
-
-
3-hydroxyoctanoylcarnitine (2)
CAR 8:0;3OH
ME708089
-
#N/A
-
-
3-methoxytyrosine
3-Methoxytyrosine
ME707937
9307
#N/A
-
-
3-methylcrotonylglycine
3-Methylcrotonylglycine
ME707969
169485
C20828
-
-
3-methylcytidine
3-Methylcytidine
ME707997
14237477
#N/A
-
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME707857
724
C00597
-
-
3-ureidopropionate
Ureidopropionic acid
ME707922
111
C02642
-
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME707924
18189
C02946
-
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME707943
500
C01035
-
-
4-hydroxybutyrate (GHB)
4-Hydroxybutyric acid
ME708002
10413
C00989
-
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME708030
439902
C03079
-
-
4-imidazoleacetate
Imidazoleacetic acid
ME707973
96215
C02835
-
-
5,6-dihydrothymine
Dihydrothymine
ME707858
93556
C00906
-
-
5-aminovalerate
5-Aminopentanoic acid
ME707950
138
C00431
-
-
5-(galactosylhydroxy)-lysine
5-(Galactosylhydroxy)-lysine
ME708027
66995551
#N/A
-
-
5-hydroxylysine
5-Hydroxylysine
ME707942
3032849
C16741
-
-
5-methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME708025
440055
C03592
-
-
5-methylcytidine
5-Methylcytidine
ME707955
92918
#N/A
-
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME707863
439176
C00170
-
-
5-methylthioribose**
5-Methylthioribose
ME708022
6419710
#N/A
-
-
7-methylguanine
7-Methylguanine
ME707996
135398679
C02242
-
-
acetylcarnitine (C2)
CAR 2:0
ME707958
7045767
C02571
-
-
adenine
Adenine
ME707914
190
C00147
-
-
adenosine
Adenosine
ME707906
60961
C00212
-
-
adenosine 5'-monophosphate (AMP)
AMP
ME707862
6083
C00020
-
-
adipoylcarnitine (C6-DC)
CAR DC6:0
ME708061
71296139
#N/A
-
-
alanine
Alanine
ME707910
5950
C00041
-
-
anserine
Anserine
ME707941
112072
C01262
-
-
anthranilate
2-Aminobenzoic acid
ME707935
227
C00108
-
-
argininate*
Argininic acid
ME708032
160437
#N/A
-
-
arginine
Arginine
ME707865
6322
C00062
-
-
argininosuccinate
Argininosuccinic acid
ME707866
60150382
C03406
-
-
asparagine
Asparagine
ME707916
6267
C00152
-
-
aspartate
Aspartic acid
ME707867
5960
C00049
-
-
beta-alanine
beta-Alanine
ME707868
239
C00099
-
-
beta-hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME708008
-
#N/A
-
-
betaine
Betaine
ME707907
247
C00719
-
-
biotin
Biotin
ME707870
171548
C00120
-
-
butyrylcarnitine (C4)
CAR 4:0
ME707963
439829
C02862
-
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME708039
2572
#N/A
-
-
carnitine
Carnitine
ME707938
288
C00487,C00308
-
-
carnosine
Carnosine
ME707869
439224
C00386
-
-
choline
Choline
ME707934
305
C00114
-
-
choline phosphate
Choline phosphate
ME707871
1014
C00588
-
-
cis-4-hydroxyproline
cis-4-Hydroxyproline
ME707951
440014
C03440
-
-
citrulline
Citrulline
ME707884
9750
C00327
-
-
creatine
Creatine
ME707931
586
C00300
-
-
creatinine
Creatinine
ME707872
588
C00791
-
-
cystathionine
Cystathionine
ME707875
439258
C02291
-
-
cysteine
Cysteine
ME707908
5862
C00097
-
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME707995
3080690
R00900
-
-
cysteine sulfinic acid
3-Sulfino-alanine
ME708023
109
C00606
-
-
cysteinylglycine disulfide*
Cysteinylglycine disulfide
ME708028
22833544
#N/A
-
-
cytidine
Cytidine
ME707912
6175
C00475
-
-
cytidine 5'-monophosphate (5'-CMP)
CMP
ME707873
6131
C00055
-
-
cytosine
Cytosine
ME707915
597
C00380
-
-
deoxycarnitine
3-Dehydroxycarnitine
ME708012
22620
C01181
-
-
dihydroxyacetone phosphate (DHAP)
Dihydroxyacetone phosphate
ME707874
668
C00111
-
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME708017
-
C21189,C03626
-
-
dimethylglycine
Dimethylglycine
ME707909
673
C03626
-
-
dimethyl sulfone
Dimethyl sulfone
ME708049
6213
C11142
-
-
EDTA
Edetic acid
ME707960
6049
C00284
-
-
formiminoglutamate
Formiminoglutamic acid
ME708029
439233
C00439
-
-
fructosyllysine
Fructosyllysine
ME708055
9839580
#N/A
-
-
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME708001
-
#N/A
-
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME708018
440103
C03738
-
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME708069
65254
#N/A
-
-
gamma-glutamylcitrulline*
gamma-Glutamylcitrulline
ME708076
-
#N/A
-
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME707978
7015685
#N/A
-
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME707876
92865
C05282
-
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME707927
150914
C05283
-
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME707982
100099
#N/A
-
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME707932
7017195
#N/A
-
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME707999
22885096
#N/A
-
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME707936
151023
#N/A
-
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME707987
7009567
#N/A
-
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME707953
111299
#N/A
-
-
gamma-glutamylserine
gamma-Glu-Ser
ME708063
22844748
#N/A
-
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME707988
76078708
#N/A
-
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME707983
3989307
#N/A
-
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME707968
7015683
#N/A
-
-
glu-gly-asn-val**
-
ME708083
-
#N/A
-
-
glutamate
Glutamic acid
ME707900
33032
C00025,C00217
-
-
glutamine
Glutamine
ME707901
5961
C00064
-
-
glutamine_degradant*
-
ME708005
-
#N/A
-
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME708007
71317118
#N/A
-
-
glutathione, oxidized (GSSG)
Oxidized glutathione
ME707890
65359
D00031,C00127
-
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME707945
754
C0093
-
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME708010
123874
C01233
-
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME708011
167572
#N/A
-
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME707948
71920
C00670
-
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME708070
3081457
#N/A
-
-
glycine
Glycine
ME707877
750
C00037
-
-
glycylleucine
Gly-Leu
ME707977
92843
C02155
-
-
glycylvaline
Gly-Val
ME707952
2724807
#N/A
-
-
guanidinoacetate
Guanidoacetic acid
ME707878
763
C00581
-
-
guanosine 5'-monophosphate (5'-GMP)
GMP
ME707879
6804
C00144
-
-
hexanoylcarnitine (C6)
CAR 6:0
ME707957
6426853
#N/A
-
-
histamine
Histamine
ME707880
774
C00388
-
-
homoarginine
Homoarginine
ME707959
9085
C01924
-
-
homostachydrine*
(S)-Homostachydrine
ME708006
441447
C08283
-
-
hydroxyasparagine**
Hydroxyasparagine
ME708073
15991574
C20631
-
-
hydroxymethylpyrimidine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME708041
777
C01279
-
-
hydroxy-N6,N6,N6-trimethyllysine*
-
ME708084
-
#N/A
-
-
hypotaurine
Hypotaurine
ME707881
107812
C00519
-
-
imidazole lactate
Imidazolelactic acid
ME707946
793
C05568
-
-
imidazole propionate
Imidazole propanoate
ME708044
70630
#N/A
-
-
indolepropionate
3-Indolepropionic acid
ME707966
3744
#N/A
-
-
indolin-2-one
Indolin-2-one
ME708051
321710
C12312
-
-
inosine 5'-monophosphate (IMP)
IMP
ME707882
8582
C00130
-
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME707964
168379
#N/A
-
-
isocitrate
Isocitric acid
ME707929
5318532
C00451
-
-
isoleucine
Isoleucine
ME707883
6306
C06418,C00407,C16424
-
-
isoleucylhydroxyproline*
Isoleucylhydroxyproline
ME708087
61158802
#N/A
-
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME707991
169235
C20826
-
-
kynurenine
Kynurenine
ME707947
161166
C00328
-
-
lanthionine
Lanthionine
ME708046
98504
#N/A
-
-
leucine
Leucine
ME707885
6106
C00123
-
-
leucylhydroxyproline*
-
ME708086
20847829
#N/A
-
-
lysine
Lysine
ME707886
5962
C00739,C00047
-
-
malonylcarnitine
CAR DC3:0
ME708004
22833583
#N/A
-
-
methionine
Methionine
ME707887
6137
C00073
-
-
methionine sulfone
Methionine sulfone
ME708054
69961
#N/A
-
-
methionine sulfoxide
Methionine sulfoxide
ME707940
158980
C02989
-
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME708058
-
#N/A
-
-
methyl indole-3-acetate
Indole-3-methyl acetate
ME707923
74706
#N/A
-
-
methylphosphate
Methanolphosphate
ME708016
13130
#N/A
-
-
mevalonolactone
Mevalonolactone
ME707956
10428
#N/A
-
-
N1-methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME707998
440810
C05843
-
-
N1-methyladenosine
1-Methyladenosine
ME707933
27476
C02494
-
-
N1-methylinosine
1-Methylinosine
ME707992
650095
#N/A
-
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME708072
-
C01029,C00612
-
-
N2-acetyl,N6,N6-dimethyllysine
N2-Acetyl,N6,N6-dimethyllysine
ME708082
-
#N/A
-
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME707993
135501639
#N/A
-
-
N4-acetylcytidine
N4-Acetylcytidine
ME707994
107461
#N/A
-
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME708015
123800
#N/A
-
-
N6-methyladenosine
N6-Methyladenosine
ME707864
102175
#N/A
-
-
N6-methyllysine
N(6)-Methyllysine
ME708043
164795
C02728
-
-
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME708079
193344
C05545
-
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME707860
440120
C03793
-
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME708050
53859791
#N/A
-
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME708024
193270
#N/A
-
-
N-acetylarginine
N-Acetylarginine
ME707979
67427
C02562
-
-
N-acetylasparagine
N-Acetylasparagine
ME707976
99715
#N/A
-
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME708009
188803
C12270
-
-
N-acetylcarnosine
N-Acetylcarnosine
ME708048
9903482
#N/A
-
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME708060
-
C01074
-
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME707930
123826
C04540
-
-
N-acetylglutamine
N-Acetylglutamine
ME707975
182230
C02716
-
-
N-acetylglycine
N-Acetylglycine
ME707961
10972
#N/A
-
-
N-acetylhistidine
N-Acetylhistidine
ME707981
75619
C02997
-
-
N-acetylhomocitrulline
-
ME708081
-
#N/A
-
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME708080
131802901
#N/A
-
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME708057
11902949
#N/A
-
-
N-acetylproline
N-Acetyl-proline
ME707990
322640
#N/A
-
-
N-acetylputrescine
N-Acetylputrescine
ME707861
122356
C02714
-
-
N-acetylpyrraline
Dehydroepiandrosterone
ME708059
-
C01227
-
-
N-alpha-acetylornithine
N-Acetylornithine
ME707949
439232
C00437
-
-
N-glycolylneuraminate
N-Glycoloylneuraminic acid
ME708000
123802
C03410
-
-
nicotinamide
Niacinamide
ME707888
936
C00153
-
-
nicotinamide N-oxide
Nicotinamide N-oxide
ME708031
72661
#N/A
-
-
nicotinamide riboside
Nicotinamide riboside
ME707985
439924
C03150
-
-
nicotinate ribonucleoside
D-Ribosylnicotinate
ME707989
161233
C05841
-
-
N-methyl-GABA
4-(Methylamino)butyric acid
ME708037
70703
C15987
-
-
N-methylpipecolate
N-methyl pipecolic acid
ME708056
11286529
#N/A
-
-
N-methylproline
N-Methyl-proline
ME708020
643474
#N/A
-
-
N-monomethylarginine
Targinine
ME708052
132862
C03884
-
-
N,N-dimethylalanine
N,N-Dimethylalanine
ME708078
5488191
#N/A
-
-
N,N-dimethyl-pro-pro
-
ME708090
-
#N/A
-
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME708071
14274897
#N/A
-
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME708075
-
#N/A
-
-
ophthalmate
Ophthalmic acid
ME707986
7018721
#N/A
-
-
ornithine
Ornithine
ME707889
6262
C00077
-
-
oxindolylalanine
Oxyindolylalanine
ME708091
20977764
#N/A
-
-
phenylacetylglycine
Phenylacetylglycine
ME707980
68144
C05598
-
-
phenylalanine
Phenylalanine
ME707891
6140
C00079
-
-
phenylalanylhydroxyproline*
-
ME708085
53480675
#N/A
-
-
phosphate
Phosphoric acid
ME707892
1061
C00009
-
-
phosphoethanolamine
Phosphoethanolamine
ME707921
1015
C00346
-
-
picolinate
Picolinic acid
ME707918
1018
C10164
-
-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME708066
-
#N/A
-
-
pipecolate
Pipecolic acid
ME707920
-
#N/A
-
-
pro-hydroxy-pro
Pro-hydroxyPro
ME707971
11902893
#N/A
-
-
proline
Proline
ME707893
-
C00148,C000763
-
-
prolylglycine
Pro-Gly
ME708045
6426709
#N/A
-
-
propionylcarnitine (C3)
CAR 3:0
ME707970
107738
C03017
-
-
putrescine
Putrescine
ME707854
1045
C00134
-
-
pyridoxal
Pyridoxal
ME707894
1050
C00250
-
-
pyridoxamine
Pyridoxamine
ME707905
1052
C00534
-
-
pyrraline
Pyrraline
ME708014
14274616
C21013
-
-
quinolinate
Quinolinic acid
ME707859
1066
C03722
-
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME708047
53481617
#N/A
-
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME707853
11966181
C04322
-
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME708065
71464477
#N/A
-
-
sarcosine
Sarcosine
ME707919
1088
C00213
-
-
S-carboxymethyl-cysteine
S-Carboxymethyl-cysteine
ME708026
193653
C03727
-
-
serine
Serine
ME707895
5951
C00065
-
-
serotonin
Serotonin
ME707896
5202
C00780
-
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME708035
82142
#N/A
-
-
spermidine
Spermidine
ME707855
1102
C00315
-
-
stachydrine
Stachydrine
ME707984
115244
C10172
-
-
suberoylcarnitine (C8-DC)
CAR DC8:0
ME708062
-
#N/A
-
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME708019
71464481
#N/A
-
-
taurine
Taurine
ME707897
1123
C00245
-
-
thiamin (vitamin B1)
Thiamine
ME707913
1130
DG00125,C00378,D08580
-
-
thioproline
Thioproline
ME708064
93176
#N/A
-
-
threonine
Threonine
ME707902
6288
C00188
-
-
tigloylglycine
Tiglylglycine
ME707928
6441567
#N/A
-
-
trans-3,4-methyleneheptanoylglycine
-
ME708067
129822188
#N/A
-
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME707917
5810
C01157
-
-
trans-urocanate
Urocanic acid
ME707899
736715
C00785
-
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME707967
5570
C01004
-
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME708042
1145
C01104
-
-
tryptophan
Tryptophan
ME707903
6305
C00078
-
-
tyrosine
Tyrosine
ME707911
6057
C00082
-
-
urea
Urea
ME707898
1176
C00086
-
-
valine
Valine
ME707904
6287
C00183
-
-
valylleucine
Val-Leu
ME708038
352039
#N/A
-
-
xanthurenate
Xanthurenic acid
ME707939
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
ME708169
-
#N/A
-
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME708212
-
#N/A
-
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME708208
52925126
#N/A
-
-
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
ME708211
24779386
#N/A
-
-
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
ME708224
52925127
#N/A
-
-
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
ME708210
34779384
#N/A
-
-
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
ME708209
52925128
#N/A
-
-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...
PC P-16:0/16:1 or PC O-16:1/16:1
ME708236
52923882
#N/A
-
-
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
ME708237
11146967
#N/A
-
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME708155
10917802
#N/A
-
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME708158
-
#N/A
-
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME708207
9547058
#N/A
-
-
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
ME708244
-
#N/A
-
-
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
ME708188
42607457
#N/A
-
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME708159
-
#N/A
-
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME708183
5288075
#N/A
-
-
1,2-dilinoleoyl-GPE (18:2/18:2)*
PE 18:2/18:2
ME708240
9546812
#N/A
-
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME708109
452110
D03585
-
-
1,2-dipalmitoyl-GPE (16:0/16:0)*
PE 16:0/16:0
ME708239
445468
#N/A
-
-
1,2-distearoyl-GPC (18:0/18:0)
PC 18:0/18:0
ME708110
94190
#N/A
-
-
1-adrenoyl-GPC (22:4)*
LPC 22:4/0:0
ME708152
52924039
#N/A
-
-
1-arachidonoyl-GPC (20:4n6)*
LPC 20:4/0:0
ME708129
24779476
C05208
-
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME708136
42607465
#N/A
-
-
1-arachidoyl-GPC (20:0)
LPC 20:0/0:0
ME708121
24779473
C04230
-
-
1-behenoyl-GPC (22:0)
-
ME708150
24779479
#N/A
-
-
1-dihomo-linoleoyl-GPC (20:2)*
-
ME708130
-
#N/A
-
-
1-docosahexaenoyl-GPC (22:6)*
-
ME708132
10415542
#N/A
-
-
1-eicosenoyl-GPC (20:1)*
-
ME708167
52924051
#N/A
-
-
1-eicosenoyl-GPE (20:1)*
-
ME708170
52925139
#N/A
-
-
1-erucoyl-GPC (22:1)*
-
ME708151
53480471
#N/A
-
-
1-lignoceroyl-GPC (24:0)
LPC 24:0/0:0
ME708153
24779481
#N/A
-
-
1-linolenoyl-GPC (18:3)*
LPC 18:3
ME708166
-
C04100
-
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*
PC 18:2/20:4
ME708230
24778979
C05208
-
-
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*
PE 18:2_20:4
ME708243
348279332
#N/A
-
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*
PC 18:2/18:3
ME708250
52922731
#N/A
-
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME708125
11988421
C04100
-
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME708135
52925130
#N/A
-
-
1-margaroyl-2-oleoyl-GPC (17:0/18:1)*
-
ME708219
-
#N/A
-
-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*
PC 14:0/20:4
ME708232
24778634
#N/A
-
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME708111
129657
#N/A
-
-
1-myristoyl-GPC (14:0)
LPC 14:0
ME708120
460604
C04230
-
-
1-nervonoyl-GPC (24:1n9)*
-
ME708154
53480477
#N/A
-
-
1-nisinoyl-GPC (24:6)*
LPC 24:6/0:0*
ME708305
-
#N/A
-
-
1-nonadecanoyl-GPC (19:0)
-
ME708168
-
#N/A
-
-
1-nonadecenoyl-GPC (19:1)*
LPC 19:1/0:0*
ME708300
-
#N/A
-
-
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*
PE 18:1/20:4
ME708241
348281223
#N/A
-
-
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*
PI 18:1/20:4
ME708263
-
#N/A
-
-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*
PC 18:1/22:6
ME708229
24778955
#N/A
-
-
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*
PE 18:1/22:6
ME708242
52922113
#N/A
-
-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*
PC 18:1_18:2
ME708198
24778939
#N/A
-
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*
PE 18:1/18:2
ME708226
9546753
#N/A
-
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME708119
16081932
C03916
-
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME708134
9547071
#N/A
-
-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*
PC 16:1_18:3
ME708251
52922452
#N/A
-
-
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*
PC 16:1/18:2
ME708225
24778768
#N/A
-
-
1-palmitoleoyl-GPC (16:1)*
LPC 16:1/0:0
ME708128
24779461
#N/A
-
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME708185
10747814
C05208
-
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME708202
9546800
C05210
-
-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*
PI 16:0/20:4
ME708205
-
#N/A
-
-
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...
-
ME708200
-
#N/A
-
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME708186
6441886
#N/A
-
-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*
PE 16:0/22:6
ME708203
9546799
#N/A
-
-
1-palmitoyl-2-eicosapentaenoyl-GPC (16:0/20:5)*
-
ME708201
24778723
#N/A
-
-
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*
PC 16:0_18:3
ME708235
24778699
#N/A
-
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME708102
5287971
#N/A
-
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME708139
9546747
#N/A
-
-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)
PI 16:0/18:2
ME708101
46891795
#N/A
-
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME708104
6436017
C13875
-
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME708100
5283496
#N/A
-
-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*
PI 16:0/18:1
ME708223
71296232
#N/A
-
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME708199
6443788
#N/A
-
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME708190
24778686
C03889
-
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME708115
86554
C04102
-
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME708133
9547069
#N/A
-
-
1-palmityl-2-linoleoyl-GPC (O-16:0/18:2)*
-
ME708231
6443157
#N/A
-
-
1-palmityl-2-palmitoyl-GPC (O-16:0/16:0)*
-
ME708265
145911
#N/A
-
-
1-palmityl-2-stearoyl-GPC (O-16:0/18:0)*
PC O-16:0/18:0
ME708264
11803170
#N/A
-
-
1-palmityl-GPC (O-16:0)
LPC O-16:0
ME708106
3983
#N/A
-
-
1-pentadecanoyl-2-arachidonoyl-GPC (15:0/20:4)*
-
ME708227
52922330
#N/A
-
-
1-pentadecanoyl-2-docosahexaenoyl-GPC (15:0/22:6)*
PC 15:0/22:6
ME708228
52922342
#N/A
-
-
1-pentadecanoyl-2-linoleoyl-GPC (15:0/18:2)*
-
ME708218
24778664
#N/A
-
-
1-pentadecanoyl-GPC (15:0)*
-
ME708146
24779458
#N/A
-
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME708138
16219824
#N/A
-
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME708196
5289133
C05210
-
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME708107
-
#N/A
-
-
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)
PS 18:0/20:4
ME708140
24779545
#N/A
-
-
1-stearoyl-2-dihomo-linolenoyl-GPC (18:0/20:3n3 or...
-
ME708221
-
#N/A
-
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME708187
24778876
#N/A
-
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*
PE 18:0/22:6
ME708204
9546798
#N/A
-
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME708197
6441487
#N/A
-
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME708195
9546749
#N/A
-
-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)
PI 18:0/18:2
ME708206
-
#N/A
-
-
1-stearoyl-2-meadoyl-GPC (18:0/20:3n9)*
-
ME708234
24778855
#N/A
-
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME708184
24778825
#N/A
-
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME708137
9546742
#N/A
-
-
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*
PI 18:0/18:1
ME708238
-
#N/A
-
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME708118
497300
#N/A
-
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME708126
9547068
#N/A
-
-
1-stearyl-GPC (O-18:0)*
-
ME708233
2733532
C04317
-
-
1-tricosanoyl-GPC (23:0)*
LPC 23:0/0:0*
ME708304
-
#N/A
-
-
2-aminooctanoate
2-Aminocaprylic acid
ME708163
69522
#N/A
-
-
2-myristoyl-GPC (14:0)*
LPC 0:0/14:0
ME708131
460604
#N/A
-
-
3-hydroxydecanoylcarnitine
CAR 10:0;3OH
ME708308
121454166
#N/A
-
-
3-hydroxyoleoylcarnitine
CAR 18:1(9Z);3OH
ME708298
129637446
#N/A
-
-
3-hydroxypalmitoylcarnitine
CAR 16:0;3OH
ME708297
126456228
#N/A
-
-
4-cholesten-3-one
Cholestenone
ME708147
91477
C00599
-
-
5-dodecenoylcarnitine (C12:1)
CAR 12:1(5)
ME708295
91825571
#N/A
-
-
alpha-tocopherol
alpha-Tocopherol
ME708098
86472
C02477
-
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME708288
136212424
#N/A
-
-
arachidonoylcholine
Arachidonoylcholine
ME708248
122198216
#N/A
-
-
arachidoylcarnitine (C20)*
CAR 20:0
ME708286
53477833
#N/A
-
-
behenoylcarnitine (C22)*
CAR 22:0
ME708285
71464577
#N/A
-
-
behenoyl dihydrosphingomyelin (d18:0/22:0)*
SM 18:0;O2/22:0
ME708214
44260132
#N/A
-
-
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME708178
44260125
#N/A
-
-
bilirubin (E,E)*
Bilirubin
ME708143
129320511
#N/A
-
-
bilirubin (Z,Z)
Bilirubin
ME708097
5280352
C00486
-
-
biliverdin
Biliverdin
ME708092
5280353
C00500
-
-
campesterol
Campesterol
ME708116
173183
C01789
-
-
ceramide (d16:1/24:1, d18:1/22:1)*
Cer 40:2;O2
ME708269
-
#N/A
-
-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*
Cer 38:1;O2
ME708273
-
#N/A
-
-
ceramide (d18:2/24:1, d18:1/24:2)*
Cer 42:3;O2
ME708270
-
#N/A
-
-
cholesterol
Cholesterol
ME708093
-
C00187
-
-
cis-3,4-methyleneheptanoylcarnitine
-
ME708310
-
#N/A
-
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME708149
57357170
#N/A
-
-
decanoylcarnitine (C10)
CAR 10:0
ME708114
10245190
#N/A
-
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)*
CAR 20:3
ME708291
-
#N/A
-
-
dihomo-linoleoylcarnitine (C20:2)*
CAR 20:2
ME708290
-
#N/A
-
-
docosahexaenoylcholine
-
ME708249
-
#N/A
-
-
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME708289
-
#N/A
-
-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*
HexCer 38:1;O2
ME708294
-
#N/A
-
-
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*
HexCer 41:2;O2
ME708272
-
#N/A
-
-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*
HexCer 42:3;O2
ME708271
-
#N/A
-
-
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*
HexCer 18:2;O2/22:0
ME708266
-
#N/A
-
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME708246
-
#N/A
-
-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
HexCer 18:1;O2/18:0
ME708142
-
#N/A
-
-
heme
Heme
ME708122
26945
C00032
-
-
heptadecenamide (17:1)*
-
ME708302
71343948
#N/A
-
-
hexadecasphingosine (d16:1)*
C16 Sphingosine
ME708268
14767871
#N/A
-
-
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**
-
ME708306
-
#N/A
-
-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)
LacCer 18:1;O2/16:0
ME708217
53477895
#N/A
-
-
laurylcarnitine (C12)
CAR 12:0
ME708124
168381
#N/A
-
-
lignoceroylcarnitine (C24)*
CAR 24:0
ME708287
-
#N/A
-
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME708181
-
#N/A
-
-
linolenoylcarnitine (C18:3)*
CAR 18:3
ME708284
-
#N/A
-
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*
DG 18:2_20:4
ME708254
9543796
#N/A
-
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*
DG 18:2_20:4
ME708255
9543796
#N/A
-
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME708160
6450015
#N/A
-
-
linoleoylcholine*
alpha-Linoleoylcholine
ME708275
53481656
#N/A
-
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]...
DG 18:2_22:6
ME708256
9543899
#N/A
-
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME708259
9543729
#N/A
-
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*
DG 18:2_18:2
ME708260
9543729
#N/A
-
-
margaroylcarnitine (C17)*
CAR 17:0
ME708161
53477803
#N/A
-
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME708175
129691961
#N/A
-
-
myristoylcarnitine (C14)
CAR 14:0
ME708117
6426854
#N/A
-
-
myristoyl dihydrosphingomyelin (d18:0/14:0)*
SM 18:0;O2/14:0
ME708220
44260138
#N/A
-
-
nervonoylcarnitine (C24:1)*
CAR 24:1
ME708293
-
#N/A
-
-
nonadecenamide (19:1)*
-
ME708303
-
#N/A
-
-
N-palmitoyl-phytosphingosine (t18:0/16:0)
Cer 18:0;O3/16:0
ME708296
10506988
#N/A
-
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME708216
5283572
#N/A
-
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME708099
5283564
#N/A
-
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME708105
5283565
#N/A
-
-
octadecanedioylcarnitine (C18-DC)*
CAR DC18:0
ME708174
-
#N/A
-
-
octadecenedioylcarnitine (C18:1-DC)*
CAR DC18:1
ME708173
-
#N/A
-
-
octanoylcarnitine (C8)
CAR 8:0
ME708113
-
C02838
-
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*
DG 18:1_20:4
ME708257
9543786
#N/A
-
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*
DG 18:1_20:4
ME708258
9543786
#N/A
-
-
oleoylcarnitine (C18:1)
CAR 18:1
ME708127
6441392
#N/A
-
-
oleoylcholine
Oleoylcholine
ME708247
59040790
#N/A
-
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME708156
14275396
#N/A
-
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME708157
71433693
#N/A
-
-
palmitoleamide (16:1)*
-
ME708301
-
#N/A
-
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME708253
71464547
#N/A
-
-
palmitoylcarnitine (C16)
CAR 16:0
ME708112
461
C02990
-
-
palmitoylcholine
Palmitoylcholine
ME708245
151731
#N/A
-
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME708191
9939965
#N/A
-
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*
DG 16:0_18:2
ME708222
131801744
#N/A
-
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME708145
9939941
#N/A
-
-
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...
EPC 18:1;O2/16:0
ME708309
-
#N/A
-
-
pentadecanoylcarnitine (C15)*
CAR 15:0
ME708292
123132011
#N/A
-
-
phosphatidylcholine (18:0/20:2, 20:0/18:2)*
-
ME708252
-
#N/A
-
-
retinal
Retinal
ME708162
638015
C00376
-
-
retinol (vitamin A)
Retinol
ME708096
445354
C00473
-
-
sphingadienine
Sphingadienine
ME708267
6449795
#N/A
-
-
sphinganine
Sphinganine
ME708095
3126
C00836
-
-
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME708141
520
#N/A
-
-
sphingomyelin (d17:1/14:0, d16:1/15:0)*
SM 31:1;O2
ME708299
-
#N/A
-
-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...
SM 33:1;O2
ME708182
-
#N/A
-
-
sphingomyelin (d17:2/16:0, d18:2/15:0)*
SM 33:2;O2
ME708283
-
#N/A
-
-
sphingomyelin (d18:0/18:0, d19:0/17:0)*
SM 36:0;O2
ME708215
44260130
#N/A
-
-
sphingomyelin (d18:0/20:0, d16:0/22:0)*
SM 38:0;O2
ME708276
-
#N/A
-
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME708164
11433862
#N/A
-
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME708189
46891763
#N/A
-
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME708144
6443882
#N/A
-
-
sphingomyelin (d18:1/19:0, d19:1/18:0)*
SM 37:1;O2
ME708277
-
#N/A
-
-
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME708176
44260124
#N/A
-
-
sphingomyelin (d18:1/20:1, d18:2/20:0)*
SM 38:2;O2
ME708177
-
#N/A
-
-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...
SM 39:1;O2
ME708213
-
#N/A
-
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...
SM 40:2;O2
ME708179
-
#N/A
-
-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...
SM 40:3;O2
ME708180
-
#N/A
-
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME708172
44260126
#N/A
-
-
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...
SM 43:1;O2
ME708282
-
#N/A
-
-
sphingomyelin (d18:2/14:0, d18:1/14:1)*
SM 32:2;O2
ME708171
-
#N/A
-
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME708165
-
#N/A
-
-
sphingomyelin (d18:2/18:1)*
SM 18:2;O2/18:1
ME708278
52931155
#N/A
-
-
sphingomyelin (d18:2/21:0, d16:2/23:0)*
SM 39:2;O2
ME708280
-
#N/A
-
-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...
SM 41:2;O2
ME708193
134757653
#N/A
-
-
sphingomyelin (d18:2/23:1)*
SM 18:2;O2/23:1
ME708281
-
#N/A
-
-
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME708194
85336023
#N/A
-
-
sphingomyelin (d18:2/24:2)*
SM 18:2;O2/24:2
ME708279
-
#N/A
-
-
sphingosine
Sphingosine
ME708094
5280335
C00319
-
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME708108
5283560
C06124
-
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*
DG 18:0_20:4
ME708261
6438587
C00165
-
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*
DG 18:0_20:4
ME708262
6438587
#N/A
-
-
stearoylcarnitine (C18)
CAR 18:0
ME708123
3006797
#N/A
-
-
stearoylcholine*
Stearoylcholine
ME708274
90111
#N/A
-
-
stearoyl ethanolamide
Stearoyl-EA
ME708148
27902
#N/A
-
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME708103
6453725
C00550
-
-
tricosanoyl sphingomyelin (d18:1/23:0)*
SM 18:1;O2/23:0
ME708192
-
#N/A
-
-
undecenoylcarnitine (C11:1)
CAR 11:1
ME708307
-
#N/A
-
-
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
ME708450
5312435
#N/A
-
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME708449
5312513
#N/A
-
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME708437
14891
C13910
-
-
12,13-DiHOME
12,13-DiHOME
ME708311
10236635
C14829
-
-
12-HEPE
12-HEPE
ME708509
10041593
#N/A
-
-
12-HETE
12-HETE
ME708510
5283155
C14777
-
-
12-HHTrE
12S-HHTrE
ME708374
5283141
C20388
-
-
(12 or 13)-methylmyristate (a15:0 or i15:0)
Isopentadecylic acid
ME708515
151014
#N/A
-
-
13-HODE + 9-HODE
HODE
ME708512
-
C14767,C14762
-
-
14-HDoHE/17-HDoHE
-
ME708591
-
#N/A
-
-
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME708525
-
C16995
-
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME708396
64960
C07326
-
-
16-hydroxypalmitate
Juniperic acid
ME708528
10466
C18218
-
-
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME708516
3083779
#N/A
-
-
18-methylnonadecanoate (i20:0)
Isoarachidic acid
ME708607
4383090
#N/A
-
-
1-arachidonoyl-GPA (20:4)
LPA 20:4/0:0
ME708548
42607498
#N/A
-
-
1-arachidonoyl-GPI (20:4)*
LPI 20:4/0:0
ME708491
121596217
#N/A
-
-
1-arachidonylglycerol (20:4)
MG 20:4
ME708461
-
C13857
-
-
1-dihomo-linolenoyl-GPC (20:3n3 or 6)*
-
ME708476
52924055
#N/A
-
-
1-dihomo-linolenoyl-GPE (20:3n3 or 6)*
-
ME708556
-
#N/A
-
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME708569
-
#N/A
-
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME708471
53480995
#N/A
-
-
1-docosahexaenoyl-GPE (22:6)*
-
ME708506
85333229
#N/A
-
-
1-eicosapentaenoyl-GPC (20:5)*
-
ME708555
-
#N/A
-
-
1-eicosapentaenoyl-GPE (20:5)*
-
ME708551
53480938
#N/A
-
-
1-linolenoylglycerol (18:3)
MG 18:3
ME708462
53480978
#N/A
-
-
1-linoleoylglycerol (18:2)
MG 18:2
ME708420
5283469
#N/A
-
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME708589
-
#N/A
-
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME708590
-
#N/A
-
-
1-linoleoyl-GPI (18:2)*
LPI 18:2/0:0
ME708501
11124828
#N/A
-
-
1-linoleoyl-GPS (18:2)*
LPS 18:2
ME708554
-
#N/A
-
-
1-methyl-5-imidazolelactate
-
ME708641
-
#N/A
-
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME708412
5283468
#N/A
-
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME708560
-
#N/A
-
-
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME708500
86289645
#N/A
-
-
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME708588
-
#N/A
-
-
1-palmitoleoyl-GPI (16:1)*
LPI 16:1/0:0*
ME708502
-
#N/A
-
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME708409
14900
#N/A
-
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME708463
6419701
C04036
-
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME708561
3300276
#N/A
-
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME708492
71296207
#N/A
-
-
1-palmitoyl-GPS (16:0)*
LPS 16:0/0:0
ME708562
9547100
#N/A
-
-
1-palmityl-GPE (O-16:0)*
-
ME708598
-
#N/A
-
-
1-stearoyl-GPA (18:0)
LPA 18:0/0:0
ME708494
89567
#N/A
-
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME708468
-
#N/A
-
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME708398
-
#N/A
-
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME708547
74819135
#N/A
-
-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
ME708634
-
#N/A
-
-
2,3-diphosphoglycerate
2,3-Diphosphoglyceric acid
ME708370
186004
C01159
-
-
2,4-di-tert-butylphenol
2,4-Ditert-butylphenol
ME708652
-
#N/A
-
-
2,8-quinolinediol sulfate
-
ME708545
-
#N/A
-
-
2-amino-p-cresol sulfate
-
ME708503
-
#N/A
-
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME708546
181670
#N/A
-
-
2-arachidonoylglycerol (20:4)
MG 20:4
ME708397
5282280
C13856
-
-
2-arachidonoyl-GPI (20:4)*
-
ME708518
-
#N/A
-
-
2-butenoylglycine
2-Butenoylglycine
ME708603
6303498
#N/A
-
-
2'-deoxyuridine
Deoxyuridine
ME708339
13712
C00526
-
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME708475
164623
#N/A
-
-
2-hydroxyarachidate*
2-Hydroxyeicosanoic acid
ME708606
5225199
#N/A
-
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME708599
193484
#N/A
-
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME708542
21488
#N/A
-
-
2-hydroxylaurate
2-Hydroxylauric acid
ME708587
97783
#N/A
-
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME708403
-
#N/A
-
-
2-hydroxyoleate
2-Hydroxyoleic acid
ME708595
9796304
#N/A
-
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME708480
-
#N/A
-
-
2-hydroxysebacate
2-Hydroxy-decanedioic acid
ME708624
128458
#N/A
-
-
2-hydroxystearate
2-Hydroxystearic acid
ME708372
-
C03042,C03045
-
-
2-linoleoylglycerol (18:2)
MG 18:2
ME708417
5365676
#N/A
-
-
2-methylbutyrylglycine
2-Methylbutyrylglycine
ME708431
193872
#N/A
-
-
2-methylcitrate/homocitrate
Homocitric acid
ME708582
-
C01251
-
-
2-naphthol sulfate
2-Naphthyl sulfate
ME708627
74428
#N/A
-
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME708414
5319879
#N/A
-
-
2'-O-methyluridine
2'-O-Methyluridine
ME708596
102212
#N/A
-
-
(2 or 3)-decenoate (10:1n7 or n8)
Decenoic acid
ME708642
-
#N/A
-
-
2-palmitoleoyl-GPC (16:1)*
LPC 0:0/16:1
ME708477
122164832
#N/A
-
-
2-palmitoyl-GPC (16:0)*
LPC 0:0/16:0
ME708478
15061532
#N/A
-
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME708539
-
#N/A
-
-
2-stearoyl-GPI (18:0)*
-
ME708529
131770413
#N/A
-
-
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME708558
187488
#N/A
-
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME708323
9378
C03672
-
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME708524
10394
C01744
-
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME708575
165511
C17333
-
-
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*
3-Bromo-5-chloro-2,6-dihydroxybenzoic acid
ME708648
134581543
#N/A
-
-
3-dehydrocholate
3-Dehydrocholic acid
ME708421
159655
#N/A
-
-
3-formylindole
1H-Indole-3-carboxaldehyde
ME708620
10256
C08493
-
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME708432
188979
#N/A
-
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME708418
26612
#N/A
-
-
3-hydroxydodecanedioate*
3-Hydroxy-dodecanedioic acid
ME708467
16663321
#N/A
-
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME708574
151492
#N/A
-
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME708426
94216
#N/A
-
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME708404
26613
C20793
-
-
3-hydroxyoctanoylglycine
-
ME708632
-
#N/A
-
-
3-hydroxyoleate*
-
ME708609
-
#N/A
-
-
3-hydroxypalmitate
3-Hydroxyhexadecanoic acid
ME708416
15569776
#N/A
-
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME708567
-
#N/A
-
-
3-hydroxystearate
3-Hydroxystearic acid
ME708586
5282907
#N/A
-
-
3-indoleglyoxylic acid
-
ME708623
73863
#N/A
-
-
3-indoxyl sulfate
Indoxyl sulfate
ME708394
10258
#N/A
-
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME708413
49
C00141
-
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME708390
-
C03465,C06008,C00671
-
-
3-methylhistidine
3-Methylhistidine
ME708391
64969
C01152
-
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME708386
107
C05629
-
-
4-acetamidobenzoate
4-Acetamidobenzoic acid
ME708594
6918889
D03836
-
-
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME708402
4684006
#N/A
-
-
4-allylcatechol sulfate
-
ME708629
-
#N/A
-
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME708505
66633409
#N/A
-
-
4-chlorobenzoic acid
4-Chlorobenzoic acid
ME708651
6318
C02370
-
-
4-ethylcatechol sulfate
-
ME708628
-
#N/A
-
-
4-ethylphenylsulfate
4-Ethylphenol
ME708498
20822574
C13637
-
-
4-hydroxychlorothalonil
4-Hydroxychlorothalonil
ME708566
34217
#N/A
-
-
4-hydroxycinnamate
cis-p-Coumaric acid
ME708495
637542
C00811
-
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME708459
151012
#N/A
-
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME708315
127
C00642
-
-
4-hydroxyphenylacetate sulfate
-
ME708578
-
#N/A
-
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME708368
979
C01179
-
-
4-methyl-2-oxopentanoate
Ketoleucine
ME708395
70
C00233
-
-
4-methylbenzenesulfonate
Toluene-4-sulfonic acid
ME708517
85570
C06677
-
-
4-methylcatechol sulfate
4-Methylcatechol 1-sulfate
ME708543
54104170
#N/A
-
-
4-methylhexanoylglycine
-
ME708631
-
#N/A
-
-
5,6-dihydrouracil
Dihydrouracil
ME708363
649
C00429
-
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME708460
94312
#N/A
-
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME708442
5312378
#N/A
-
-
5-HETE
5-HETE
ME708508
5280733
C04805
-
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME708428
170748
#N/A
-
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME708312
1826
C05635
-
-
5-methyluridine (ribothymidine)
Ribothymidine
ME708464
445408
#N/A
-
-
5-oxoproline
Pyroglutamic acid
ME708352
-
C02237,C01879
-
-
6beta-hydroxylithocholate
Murideoxycholic acid
ME708489
5283821
C15515
-
-
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME708572
122198196
#N/A
-
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME708549
3014237
#N/A
-
-
7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME708484
3081085
C17337
-
-
7-ketodeoxycholate
7-Ketodeoxycholic acid
ME708422
188292
#N/A
-
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME708415
69820
#N/A
-
-
9,10-DiHOME
9,10-DiHOME
ME708317
9966640
C14828
-
-
aconitate [cis or trans]
cis-Aconitic acid
ME708456
-
C004174,C02341
-
-
adrenate (22:4n6)
Adrenic acid
ME708435
-
C16527
-
-
alpha-CEHC
alpha-CEHC
ME708513
9943542
#N/A
-
-
alpha-CEHC glucuronide*
-
ME708530
134819285
#N/A
-
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME708400
-
C03264
-
-
alpha-muricholate
alpha-Muricholic acid
ME708452
53477700
C17647
-
-
arachidate (20:0)
Arachidic acid
ME708346
10467
C06425
-
-
arachidonate (20:4n6)
Arachidonic acid
ME708322
444899
C00219
-
-
azelate (C9-DC)
Azelaic acid
ME708383
2266
C08261
-
-
benzoate
Benzoic acid
ME708385
243
C00180
-
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME708376
69362
#N/A
-
-
beta-muricholate
beta-Muricholic acid
ME708423
5283853
C17726
-
-
bilirubin degradation product, C16H18N2O5 (2)**
-
ME708654
-
#N/A
-
-
bilirubin degradation product, C16H18N2O5 (3)**
-
ME708660
-
#N/A
-
-
bilirubin degradation product, C17H18N2O4 (1)**
-
ME708655
-
#N/A
-
-
bilirubin degradation product, C17H18N2O4 (2)**
-
ME708656
-
#N/A
-
-
bilirubin degradation product, C17H18N2O4 (3)**
-
ME708657
-
#N/A
-
-
bilirubin degradation product, C17H20N2O5 (1)**
-
ME708658
-
#N/A
-
-
bilirubin degradation product, C17H20N2O5 (2)**
-
ME708659
-
#N/A
-
-
biopterin
Biopterin
ME708379
445040
C06313
-
-
branched chain 14:0 dicarboxylic acid**
-
ME708640
-
#N/A
-
-
branched-chain, straight-chain, or cyclopropyl 10:...
Decenoic acid
ME708643
-
#N/A
-
-
branched-chain, straight-chain, or cyclopropyl 10:...
-
ME708644
-
#N/A
-
-
branched-chain, straight-chain, or cyclopropyl 12:...
-
ME708649
-
#N/A
-
-
butyrate/isobutyrate (4:0)
Butyric acid
ME708369
264
C00246
-
-
butyrylglycine
N-Butyrylglycine
ME708430
88412
#N/A
-
-
caprate (10:0)
Capric acid
ME708343
2969
C01571
-
-
caproate (6:0)
Caproic acid
ME708348
8892
C01585
-
-
caprylate (8:0)
Caprylic acid
ME708349
379
C06423
-
-
catechol sulfate
Catechol sulfate
ME708483
3083879
#N/A
-
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME708577
10981970
#N/A
-
-
chenodeoxycholate
Chenodeoxycholic acid
ME708361
10133
C02528
-
-
cholate
Cholic acid
ME708314
221493
C00695
-
-
cis-3,4-methyleneheptanoylglycine
-
ME708653
-
#N/A
-
-
cis-4-decenoate (10:1n6)*
4Z-Decenoic acid
ME708520
5282726
#N/A
-
-
cis-urocanate
Urocanic acid
ME708534
1549103
#N/A
-
-
citrate
Citric acid
ME708362
311
C00158
-
-
citronellic acid
Citronellic acid
ME708645
10402
C16462
-
-
corticosterone
Corticosterone
ME708325
5753
C02140
-
-
cysteine s-sulfate
Cysteine-S-sulfate
ME708408
115015
C05824
-
-
daidzein
Daidzein
ME708440
5281708
C10208
-
-
daidzein sulfate (2)
-
ME708573
12114465
#N/A
-
-
deoxycholate
Deoxycholic acid
ME708326
-
C04483
-
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME708371
6439848
C16525
-
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME708497
5280581
C03242
-
-
dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME708472
135402011
C00268
-
-
dihydroferulate
Dihydroferulic acid
ME708536
14340
#N/A
-
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME708434
5282807
C16533
-
-
docosadioate (C22-DC)
Docosanedioic acid
ME708527
7641
C14240
-
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME708399
445580
C06429
-
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME708433
6441454
C16513
-
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME708481
6441454
C16513
-
-
docosatrienoate (22:3n3)
13,16,19-Docosatrienoic acid
ME708436
5312556
C16534
-
-
docosatrienoate (22:3n6)*
10Z,13Z,16Z-Docosatrienoic acid
ME708601
75955220
#N/A
-
-
dodecadienoate (12:2)*
Dodecadienoic acid
ME708626
25480
#N/A
-
-
dodecanedioate (C12-DC)
Dodecanedioic acid
ME708424
12736
C02678
-
-
dodecenedioate (C12:1-DC)*
Traumatic acid
ME708612
5283028
#N/A
-
-
eicosanedioate (C20-DC)
Eicosanedioic acid
ME708526
75502
#N/A
-
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME708384
446284
C06428
-
-
eicosenedioate (C20:1-DC)*
-
ME708636
-
#N/A
-
-
eicosenoate (20:1)
cis-Gondoic acid
ME708454
-
C16526
-
-
enterolactone sulfate
-
ME708625
-
#N/A
-
-
equol sulfate
Equol 4'-sulfate
ME708535
-
#N/A
-
-
erucate (22:1n9)
cis-Erucic acid
ME708357
-
C08316
-
-
ethyl glucuronide
Ethyl glucuronide
ME708521
18392195
#N/A
-
-
flavin adenine dinucleotide (FAD)
FAD
ME708327
643975
C00016
-
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME708360
94340
#N/A
-
-
genistein sulfate*
-
ME708618
-
#N/A
-
-
glucuronide of C10H18O2 (12)*
-
ME708616
-
#N/A
-
-
glycerol
Glycerol
ME708373
753
C00116
-
-
glycine conjugate of C10H14O2 (1)*
-
ME708621
-
#N/A
-
-
glycine conjugate of C6H10O2 (2)*
-
ME708646
-
#N/A
-
-
glycine conjugate of C6H10O2 (3)*
-
ME708647
-
#N/A
-
-
glyco-beta-muricholate**
Gly-betaMCA
ME708619
-
#N/A
-
-
glycocholate
Glycocholic acid
ME708328
10140
C01921
-
-
guanosine
Guanosine
ME708359
6802
C00387
-
-
heptadecanedioate (C17-DC)
-
ME708610
3083765
#N/A
-
-
heptanoate (7:0)
Heptylic acid
ME708347
8094
C17714
-
-
heptanoyl glycine
N-Heptanoylglycine
ME708544
10932172
#N/A
-
-
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME708593
13932172
#N/A
-
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME708486
10459
C19615
-
-
hexadecatrienoate (16:3n3)
7,10,13-Hexadecatrienoic acid
ME708592
91820460
#N/A
-
-
hexadecenedioate (C16:1-DC)*
-
ME708613
-
#N/A
-
-
hexanoylglycine
Hexanoylglycine
ME708474
99463
#N/A
-
-
hexanoyltaurine
-
ME708638
2245940
#N/A
-
-
hippurate
Hippuric acid
ME708388
464
C01586
-
-
histidine
Histidine
ME708329
6274
C00135
-
-
homovanillate sulfate
Homovanillic acid
ME708514
29981063
#N/A
-
-
hydroxy-undecanedioate (OH-C11:0-DC)*
-
ME708650
-
#N/A
-
-
hyocholate
Hyocholic acid
ME708451
92805
C17649
-
-
hyodeoxycholate
Hyodeoxycholic acid
ME708406
5283820
C15517
-
-
hypoxanthine
Hypoxanthine
ME708316
-
C00262
-
-
indole-3-carboxylate
Indole-3-carboxylic acid
ME708511
69867
C19837
-
-
indoleacetate
Indoleacetic acid
ME708419
802
C00954
-
-
indoleacetylglycine
N-Indoleacetylglycine
ME708581
446640
#N/A
-
-
indoleacrylate
Indoleacrylic acid
ME708407
5375048
#N/A
-
-
indolelactate
Indolelactic acid
ME708393
92904
C02043
-
-
indoxyl glucuronide
Inodxyl glucuronide
ME708584
2733785
#N/A
-
-
inosine
Inosine
ME708330
6021
C00294
-
-
isobutyrylglycine
Isobutyrylglycine
ME708482
10855600
#N/A
-
-
isocaproylglycine
Isocaproylglycine
ME708604
28777652
#N/A
-
-
isovalerate (i5:0)
Isovaleric acid
ME708401
10430
C08262
-
-
isovalerylglycine
Isovalerylglycine
ME708466
546304
#N/A
-
-
kynurenate
Kynurenic acid
ME708313
3845
C01717
-
-
laurate (12:0)
Lauric acid
ME708319
3893
C02679
-
-
linoleate (18:2n6)
Linoleic acid
ME708318
5280450
C01595
-
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME708455
-
C06426,C06427
-
-
linoleoyl ethanolamide
Linoleoyl-EA
ME708580
5283446
#N/A
-
-
malate
Malic acid
ME708331
525
C00149,C00711,C00497
-
-
margarate (17:0)
Margaric acid
ME708344
10465
#N/A
-
-
mead acid (20:3n9)
ETrE(5Z,8Z,11Z)
ME708470
5312531
#N/A
-
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME708568
10657183
#N/A
-
-
methyl vanillate sulfate
-
ME708630
-
#N/A
-
-
myristate (14:0)
Myristic acid
ME708337
11005
C06424
-
-
myristoleamide (14:1)*
-
ME708633
-
#N/A
-
-
myristoleate (14:1n5)
Myristoleic acid
ME708438
5281119
C08322
-
-
N1-methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME708469
69698
C05842
-
-
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME708553
65977
#N/A
-
-
N2,N6-diacetyllysine
N,N'-Diacetyl-lysine
ME708570
91827
#N/A
-
-
N6-acetyllysine
N6-Acetyllysine
ME708496
92832
C02727
-
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME708457
161466
#N/A
-
-
N6-succinyladenosine
Succinyladenosine
ME708493
165243
#N/A
-
-
N-acetyl-2-aminooctanoate*
N-Acetyl-2-aminooctanoic acid
ME708617
95555
#N/A
-
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME708507
76406
C01073
-
-
N-acetylcitrulline
N-Acetylcitrulline
ME708479
656979
C15532,C02851
-
-
N-acetylisoleucine
N-Acetylisoleucine
ME708448
306109
#N/A
-
-
N-acetylkynurenine (2)
N-Acetylkynurenine
ME708576
73817779
#N/A
-
-
N-acetylleucine
N-Acetylleucine
ME708354
70912
C02710
-
-
N-acetylmethionine
N-Acetylmethionine
ME708355
448580
C02712
-
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME708445
74839
C03519
-
-
N-acetyltaurine
N-Acetyltaurine
ME708559
159864
#N/A
-
-
N-acetylthreonine
N-Acetylthreonine
ME708447
152204
#N/A
-
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME708444
-
C03137
-
-
N-acetyltyrosine
N-Acetyltyrosine
ME708425
68310
#N/A
-
-
N-acetylvaline
N-Acetylvaline
ME708356
66789
#N/A
-
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME708550
9920500
C00437
-
-
neopentyl glycol azelate**
-
ME708661
-
#N/A
-
-
N-formylmethionine
N-Formylmethionine
ME708320
439750
C03145
-
-
N-formylphenylalanine
N-Formylphenylalanine
ME708565
-
#N/A
-
-
nisinate (24:6n3)
THA
ME708602
11792612
#N/A
-
-
N-linoleoyltaurine*
N-Linoleoyl taurine
ME708563
52922081
#N/A
-
-
N-octanoylglycine
Capryloylglycine
ME708541
84290
#N/A
-
-
N-oleoylserine
NA-Ser 18:1(9Z)
ME708600
44190514
#N/A
-
-
N-oleoyltaurine
N-Oleoyl taurine
ME708531
6437033
#N/A
-
-
nonadecanedioate (C19-DC)
-
ME708611
12572015
#N/A
-
-
nonadecanoate (19:0)
Nonadecylic acid
ME708345
12591
C16535
-
-
N-palmitoleoyltaurine*
NA-Taurine 16:1(9Z)
ME708564
-
#N/A
-
-
N-palmitoylglycine
N-Palmitoyl glycine
ME708537
151008
#N/A
-
-
N-palmitoyltaurine
N-Palmitoyl taurine
ME708532
14504290
#N/A
-
-
N-stearoylserine*
N-Stearoyl serine
ME708608
-
#N/A
-
-
N-stearoyltaurine
N-Stearoyl taurine
ME708533
168274
#N/A
-
-
o-cresol sulfate
o-Cresol sulfate
ME708504
11615528
#N/A
-
-
octadecadienedioate (C18:2-DC)*
Octadecanedioic acid
ME708615
-
#N/A
-
-
octadecanedioate (C18-DC)
Octadecanedioic acid
ME708487
70095
#N/A
-
-
octadecenedioate (C18:1-DC)
-
ME708614
9543674
#N/A
-
-
oleamide
Oleamide
ME708378
5283387
C19670
-
-
oleate/vaccenate (18:1)
Oleic acid
ME708583
-
C21944,C08367,C01712,C00712
-
-
oleoyl ethanolamide
Oleoyl-EA
ME708367
5283454
#N/A
-
-
O-sulfo-tyrosine
Sulfotyrosine
ME708557
514186
#N/A
-
-
oxalate (ethanedioate)
Oxalic acid
ME708411
971
C00209
-
-
palmitamide (16:0)
-
ME708540
69421
#N/A
-
-
palmitate (16:0)
Palmitic acid
ME708332
985
C00249
-
-
palmitoleate (16:1n7)
Palmitoleic acid
ME708334
445638
C08362
-
-
palmitoyl ethanolamide
Palmitoyl-EA
ME708377
4671
C16512
-
-
pantothenate
Pantothenic acid
ME708353
6613
C00864
-
-
p-cresol glucuronide*
P-Cresol glucuronide
ME708571
154035
#N/A
-
-
p-cresol sulfate
p-Cresol sulfate
ME708453
4615423
#N/A
-
-
pentadecanoate (15:0)
Pentadecylic acid
ME708350
13849
C16537
-
-
perfluorooctanesulfonate (PFOS)
Perfluorooctanesulfonic acid
ME708597
74483
C18142
-
-
phenol glucuronide
Phenyl glucuronide
ME708579
87235
#N/A
-
-
phenol sulfate
Phenyl hydrogen sulfate
ME708473
74426
C02180
-
-
phenylacetate
Phenyl acetate
ME708387
999
C07086
-
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME708458
92258
C04148
-
-
phenylacetyltaurine
-
ME708585
2179693
#N/A
-
-
phenyllactate (PLA)
Phenyllactic acid
ME708405
3848
C05607
-
-
phenylpyruvate
Phenylpyruvic acid
ME708324
997
C00166
-
-
phosphoenolpyruvate (PEP)
Phosphoenolpyruvic acid
ME708335
1005
C00074
-
-
picolinoylglycine
Picolinoylglycine
ME708637
11788622
#N/A
-
-
propionylglycine
Propionylglycine
ME708429
98681
#N/A
-
-
pseudouridine
Pseudouridine
ME708340
15047
C02067
-
-
pyridoxate
4-Pyridoxic acid
ME708427
6723
C00847
-
-
riboflavin (vitamin B2)
Riboflavin
ME708336
493570
C00255
-
-
S-(3-hydroxypropyl)mercapturic acid (HPMA)
N-Acetyl-S-(3-hydroxypropyl)-cysteine
ME708552
119083
#N/A
-
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME708321
439155
C00021
-
-
sebacate (C10-DC)
Sebacic acid
ME708439
5192
C08277
-
-
sedoheptulose-7-phosphate
Sedoheptulose 7-phosphate
ME708490
616
C05382
-
-
S-methylglutathione
S-Methylglutathione
ME708446
115260
C11347
-
-
stearate (18:0)
Stearic acid
ME708333
5281
C01530
-
-
stearidonate (18:4n3)
Stearidonic acid
ME708441
5312508
C16300
-
-
suberate (C8-DC)
Suberic acid
ME708389
10457
C08278
-
-
sulfate*
Sulfate
ME708519
5152822
C00059
-
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME708410
45
C02287
-
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME708443
-
#N/A
-
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME708380
387316
C05465
-
-
taurocholate
Taurocholic acid
ME708381
-
C05122
-
-
taurodeoxycholate
Taurodeoxycholic acid
ME708382
2733768
C05463
-
-
taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME708538
12443252
#N/A
-
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME708522
9848818
#N/A
-
-
tetradecadienedioate (C14:2-DC)*
-
ME708635
86018718
#N/A
-
-
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME708622
5312409
#N/A
-
-
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME708485
13185
#N/A
-
-
thromboxane B2
TXB2
ME708375
5283137
C05963
-
-
thymidine
Thymidine
ME708341
5789
C00214
-
-
thymine
Thymine
ME708342
1135
C00178
-
-
thymol sulfate
-
ME708499
12456386
C09908
-
-
thyroxine
Thyroxine
ME708358
5819
C01829
-
-
trans-2-hexenoylglycine
-
ME708605
-
#N/A
-
-
undecanedioate (C11-DC)
Undecanedioic acid
ME708488
15816
#N/A
-
-
urate
Uric acid
ME708364
1175
C00366
-
-
uridine
Uridine
ME708338
6029
C00299
-
-
ursocholate
Ursocholic acid
ME708523
122340
C17644
-
-
ursodeoxycholate
Ursodeoxycholic acid
ME708365
31401
C07880
-
-
valerate (5:0)
Valeric acid
ME708366
7991
C00803
-
-
valerylglycine
Valerylglycine
ME708465
4737557
#N/A
-
-
vanillic acid glycine
-
ME708639
3083688
#N/A
-
-
xanthine
Xanthine
ME708351
1188
C00385
-
-
xanthosine
Xanthosine
ME708392
64959
C01762
-
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,2'-methylenebis(6-tert-butyl-p-cresol)
-
ME708757
8398
#N/A
-
-
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME708754
301941
#N/A
-
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME708738
677
C04039
-
-
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME708759
9338
#N/A
-
-
2-aminoadipate
alpha-Aminoadipic acid
ME708679
92136
C00956
-
-
2-hydroxy-4-(methylthio)butanoic acid
2-Hydroxy-4-(methylthio)butanoic acid
ME708761
11427
#N/A
-
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME708722
193530
C02360
-
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME708751
-
C21297,C05984
-
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME708670
11970
C05852
-
-
2-isopropylmalate
2-Isopropylmalic acid
ME708711
77
C02504
-
-
2-ketogulonate
-
ME708704
102424
C15673
-
-
2-O-methylascorbic acid
2-O-Methylascorbic acid
ME708743
54726398
#N/A
-
-
2-oxoadipate
Oxoadipic acid
ME708663
71
C00322
-
-
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME708736
13120901
#N/A
-
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME708735
10964471
#N/A
-
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME708732
150929
#N/A
-
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME708666
-
C03761
-
-
3-hydroxyadipate
3-Hydroxy-adipic acid
ME708745
151913
#N/A
-
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME708672
-
C03197,C01089
-
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME708665
11966314
C01188,C06001
-
-
3-hydroxysuberate
3-Hydroxysuberic acid
ME708721
22328017
#N/A
-
-
3-methylglutaconate
3E-Methylglutaconic acid
ME708739
1551553
#N/A
-
-
3-ureidoisobutyrate
Ureidoisobutyric acid
ME708727
160663
C05100
-
-
adipate (C6-DC)
Adipic acid
ME708716
196
C06104
-
-
allantoic acid
Allantoic acid
ME708668
203
C00499
-
-
allantoin
Allantoin
ME708695
-
C02348,C01551,C02350
-
-
allo-threonine
Allothreonine
ME708708
99289
C05519
-
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME708724
99823
#N/A
-
-
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME708737
48
C00940
-
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME708664
51
C00026
-
-
arabinose
Arabinose
ME708689
66308
C00216
-
-
arabitol/xylitol
Arabitol
ME708749
-
C00379,C00542,C01904
-
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME708747
-
C00502,C05411
-
-
ascorbic acid 2-sulfate
-
ME708753
54676864
#N/A
-
-
ascorbic acid 3-sulfate*
-
ME708758
11425365
#N/A
-
-
cholesterol sulfate
Cholesterol sulfate
ME708729
65076
C18043
-
-
citraconate/glutaconate
Citraconic acid/Glutaconic acid
ME708750
-
C02226,C02214
-
-
creatine phosphate
Phosphocreatine
ME708706
-
C02305
-
-
cystine
Cystine
ME708673
67678
C00491
-
-
decadienedioic acid (C10:2-DC)**
-
ME708763
17789717
#N/A
-
-
dihydroorotate
4,5-Dihydroorotic acid
ME708693
648
C00337
-
-
erythritol
Erythritol
ME708715
222285
C00503
-
-
erythronate*
Erythronic acid
ME708725
2781043
#N/A
-
-
ethylmalonate
Ethylmalonic acid
ME708703
11756
#N/A
-
-
fructose
Fructose
ME708690
2723872
C00095
-
-
fumarate
Fumaric acid
ME708675
444972
C00122
-
-
galactonate
Galactonic acid
ME708720
-
C00880,C15930
-
-
gluconate
Gluconic acid
ME708676
-
C00257
-
-
glucose
Glucose
ME708683
5793
C00031
-
-
glucose 6-phosphate
Glucose 6-phosphate
ME708674
5958
C00092
-
-
glucuronate
Glucuronic acid
ME708707
-
C16245
-
-
glutarate (C5-DC)
Glutaric acid
ME708677
-
C00489
-
-
glycerate
Glyceric acid
ME708696
-
C00258
-
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME708730
54575349
C03274
-
-
glycolate (hydroxyacetate)
Glycolic acid
ME708667
757
C00160
-
-
guanidinosuccinate
Guanidinosuccinic acid
ME708723
439918
C03139
-
-
gulonate*
Gulonic acid
ME708728
152304
C00800
-
-
heptenedioate (C7:1-DC)*
-
ME708756
-
#N/A
-
-
homocitrulline
Homocitrulline
ME708717
65072
C02427
-
-
hydantoin-5-propionate
Hydantoin-5-propionic acid
ME708740
782
C05565
-
-
isocitric lactone
Isocitric acid lactone
ME708752
98259
#N/A
-
-
itaconate
Itaconic acid
ME708712
811
C00490
-
-
lactate
Lactic acid
ME708682
612
C00186
-
-
lyxonate
D-Lyxonic acid
ME708755
-
#N/A
-
-
maleate
Maleic acid
ME708713
444266
C01384
-
-
malonate
Malonic acid
ME708685
867
C00383
-
-
maltose
Maltose
ME708691
10991489
C00208
-
-
mannitol/sorbitol
Sorbitol
ME708733
-
C00392,C00794
-
-
mannonate*
Mannonic acid
ME708744
3246006
#N/A
-
-
mannose
Mannose
ME708684
-
C00159,C02209,C00936
-
-
methylmalonate (MMA)
Methylmalonic acid
ME708680
487
C02170
-
-
methylsuccinate
Methylsuccinic acid
ME708702
10349
#N/A
-
-
mevalonate
Mevalonic acid
ME708662
449
C02104
-
-
myo-inositol
Myo-inositol
ME708678
892
C00137
-
-
N2-acetyllysine
N(2)-Acetyllysine
ME708731
92907
C12989
-
-
N-acetylalanine
N-Acetylalanine
ME708698
88064
C02847
-
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME708714
65065
C01042
-
-
N-acetyl-glucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME708700
440364
C04256
-
-
N-acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME708701
439219
C00357
-
-
N-acetylglutamate
N-Acetylglutamic acid
ME708709
70914
C00624
-
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME708699
439197
C00270
-
-
N-acetylserine
N-Acetylserine
ME708734
65249
#N/A
-
-
N-carbamoylaspartate
N-Carbamoylaspartic acid
ME708697
93072
C00438
-
-
N-formylanthranilic acid
Formylanthranilic acid
ME708746
101399
C05653
-
-
orotate
Orotic acid
ME708681
967
C00295
-
-
orotidine
Orotidine
ME708726
92751
#N/A
-
-
pentose acid*
Valeric acid
ME708762
7991
C00803
-
-
pimelate (C7-DC)
Pimelic acid
ME708705
385
C02656
-
-
pyruvate
Pyruvic acid
ME708686
1060
C00022
-
-
ribitol
Ribitol
ME708710
6912
C00379,C01904,C00474,C00532
-
-
ribonate
Ribonic acid
ME708718
5460677
C01685
-
-
ribose
Ribose
ME708692
5779
C00121
-
-
ribose 1-phosphate
Ribose 1-phosphate
ME708669
439236
C00620
-
-
ribulose/xylulose
-
ME708748
-
#N/A
-
-
sedoheptulose
Glucoheptulose
ME708741
5459879
C02076
-
-
S-methylcysteine
Methylcysteine
ME708742
-
#N/A
-
-
succinate
Succinic acid
ME708671
1110
C00042
-
-
succinoyltaurine
-
ME708760
-
#N/A
-
-
sucrose
Sucrose
ME708694
5988
C00089
-
-
threonate
Threonic acid
ME708719
-
C01620
-
-
uracil
Uracil
ME708687
1174
C00106
-
-
xylose
Xylose
ME708688
135191
C00181
-
-
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