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Return to study ST003178 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
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME829856
11966181
C04322
-
-
homocarnosine
Homocarnosine
ME829857
-
C00884
-
-
spermidine
Spermidine
ME829858
1102
C00315
-
-
1-methylnicotinamide
1-Methyl nicotinamide
ME829859
457
C02918
-
-
kynurenate
Kynurenic acid
ME829860
3845
C01717
-
-
5,6-dihydrothymine
Dihydrothymine
ME829861
93556
C00906
-
-
hypoxanthine
Hypoxanthine
ME829862
-
C00262
-
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME829863
440120
C03793
-
-
N-acetylputrescine
N-Acetylputrescine
ME829864
122356
C02714
-
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME829865
439176
C00170
-
-
N6-methyladenosine
N6-Methyladenosine
ME829866
102175
-
-
-
arginine
Arginine
ME829867
6322
C00062
-
-
argininosuccinate
Argininosuccinic acid
ME829868
60150382
C03406
-
-
ascorbate (Vitamin C)
Vitamin C
ME829869
54670067
D00018,C00072
-
-
aspartate
Aspartic acid
ME829870
5960
C00049
-
-
beta-alanine
beta-Alanine
ME829871
239
C00099
-
-
choline phosphate
Choline phosphate
ME829872
1014
C00588
-
-
creatinine
Creatinine
ME829873
588
C00791
-
-
cysteinylglycine
Cys-Gly
ME829874
439498
C01419
-
-
cystathionine
Cystathionine
ME829875
439258
C02291
-
-
glycine
Glycine
ME829876
750
C00037
-
-
histidine
Histidine
ME829877
6274
C00135
-
-
hypotaurine
Hypotaurine
ME829878
107812
C00519
-
-
isoleucine
Isoleucine
ME829879
6306
C06418,C00407,C16424
-
-
citrulline
Citrulline
ME829880
9750
C00327
-
-
leucine
Leucine
ME829881
6106
C00123
-
-
lysine
Lysine
ME829882
5962
C00739,C00047
-
-
ornithine
Ornithine
ME829883
6262
C00077
-
-
phenylalanine
Phenylalanine
ME829884
6140
C00079
-
-
phosphate
Phosphoric acid
ME829885
1061
C00009
-
-
proline
Proline
ME829886
-
C00148,C000763
-
-
pyridoxal
Pyridoxal
ME829887
1050
C00250
-
-
serine
Serine
ME829888
5951
C00065
-
-
urea
Urea
ME829889
1176
C00086
-
-
uridine
Uridine
ME829890
6029
C00299
-
-
glutamate
Glutamic acid
ME829891
33032
C00025,C00217
-
-
glutamine
Glutamine
ME829892
5961
C00064
-
-
threonine
Threonine
ME829893
6288
C00188
-
-
valine
Valine
ME829894
6287
C00183
-
-
betaine
Betaine
ME829895
247
C00719
-
-
cysteine
Cysteine
ME829896
5862
C00097
-
-
dimethylglycine
Dimethylglycine
ME829897
673
C03626
-
-
alanine
Alanine
ME829898
5950
C00041
-
-
tyrosine
Tyrosine
ME829899
6057
C00082
-
-
caffeine
Caffeine
ME829900
2519
C07481
-
-
adenine
Adenine
ME829901
190
C00147
-
-
asparagine
Asparagine
ME829902
6267
C00152
-
-
picolinate
Picolinic acid
ME829903
1018
C10164
-
-
pipecolate
Pipecolic acid
ME829904
-
-
-
-
3-ureidopropionate
Ureidopropionic acid
ME829905
111
C02642
-
-
guanosine
Guanosine
ME829906
6802
C00387
-
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME829907
94340
-
-
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME829908
150914
C05283
-
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME829909
123826
C04540
-
-
acetoacetate
Acetoacetic acid
ME829910
96
C00164
-
-
cys-gly, oxidized
CYS-GLY, oxidized
ME829911
333293
-
-
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME829912
7017195
-
-
-
N1-methyladenosine
1-Methyladenosine
ME829913
27476
C02494
-
-
choline
Choline
ME829914
305
C00114
-
-
anthranilate
2-Aminobenzoic acid
ME829915
227
C00108
-
-
3-methoxytyrosine
3-Methoxytyrosine
ME829916
9307
-
-
-
carnitine
Carnitine
ME829917
288
C00487,C00308
-
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME829918
500
C01035
-
-
2'-deoxycytidine
Deoxycytidine
ME829919
13711
C00881
-
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME829920
754
C0093
-
-
imidazole lactate
Imidazolelactic acid
ME829921
793
C05568
-
-
kynurenine
Kynurenine
ME829922
161166
C00328
-
-
theobromine
Theobromine
ME829923
5429
C07480
-
-
5-methylcytidine
5-Methylcytidine
ME829924
92918
-
-
-
acetylcarnitine (C2)
CAR 2:0
ME829925
7045767
C02571
-
-
homoarginine
Homoarginine
ME829926
9085
C01924
-
-
indoleacetate
Indoleacetic acid
ME829927
802
C00954
-
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME829928
168379
-
-
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME829929
5570
C01004
-
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME829930
68662
-
-
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME829931
7015683
-
-
-
propionylcarnitine (C3)
CAR 3:0
ME829932
107738
C03017
-
-
pro-hydroxy-pro
Pro-hydroxyPro
ME829933
11902893
-
-
-
1,3-propanediol
Propane-1,3-diol
ME829934
10442
C02457
-
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME829935
75810
C05828
-
-
N-acetylglutamine
N-Acetylglutamine
ME829936
182230
C02716
-
-
N-acetylasparagine
N-Acetylasparagine
ME829937
99715
-
-
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME829938
7015685
-
-
-
N-acetylarginine
N-Acetylarginine
ME829939
67427
C02562
-
-
stachydrine
Stachydrine
ME829940
115244
C10172
-
-
hydroxybupropion
Hydroxybupropion
ME829941
446
-
-
-
nicotinamide riboside
Nicotinamide riboside
ME829942
439924
C03150
-
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME829943
7009567
-
-
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME829944
76078708
-
-
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME829945
169235
C20826
-
-
7-methylxanthine
7-Methylxanthine
ME829946
68374
C16353
-
-
N1-methylinosine
1-Methylinosine
ME829947
650095
-
-
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME829948
135501639
-
-
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME829949
161466
-
-
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME829950
3080690
R00900
-
-
7-methylguanine
7-Methylguanine
ME829951
135398679
C02242
-
-
3-methylcytidine
3-Methylcytidine
ME829952
14237477
-
-
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME829953
22885096
-
-
-
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME829954
-
-
-
-
4-hydroxybutyrate (GHB)
4-Hydroxybutyric acid
ME829955
10413
C00989
-
-
malonylcarnitine
CAR DC3:0
ME829956
22833583
-
-
-
lidocaine
Lidocaine
ME829957
3676
D00358
-
-
N-ethylglycinexylidide
Monoethylglycinexylidide
ME829958
24415
C16561
-
-
glutamine_degradant*
-
ME829959
-
-
-
-
homostachydrine*
(S)-Homostachydrine
ME829960
441447
C08283
-
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME829961
71317118
-
-
-
beta-hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME829962
-
-
-
-
tiglylcarnitine (C5:1-DC)
CAR DC5:1
ME829963
22833596
-
-
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME829964
188803
C12270
-
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME829965
123874
C01233
-
-
deoxycarnitine
3-Dehydroxycarnitine
ME829966
22620
C01181
-
-
1-ribosyl-imidazoleacetate*
Imidazoleacetic acid riboside
ME829967
440569
C05131
-
-
tryptophan betaine
Lenticin
ME829968
442106
C09213
-
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME829969
-
C21189,C03626
-
-
cyclo(leu-pro)
Cyclo(Leu-Pro)
ME829970
7074739
-
-
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME829971
71464481
-
-
-
N-methylproline
N-Methyl-proline
ME829972
643474
-
-
-
5-methylthioribose**
5-Methylthioribose
ME829973
6419710
-
-
-
betonicine
Betonicine
ME829974
164642
C08269
-
-
ergothioneine
Ergothioneine
ME829975
5351619
C05570
-
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME829976
193270
-
-
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME829977
66995551
-
-
-
cysteinylglycine disulfide*
Cysteinylglycine disulfide
ME829978
22833544
-
-
-
ranitidine
Ranitidine
ME829979
3001055
D00422
-
-
argininate*
Argininic acid
ME829980
160437
-
-
-
2-oxoarginine*
2-Oxoarginine
ME829981
558
C03771
-
-
gabapentin
Gabapentin
ME829982
3446
D00332
-
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME829983
6451814
-
-
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME829984
82142
-
-
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME829985
2572
-
-
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME829986
1145
C01104
-
-
N6-methyllysine
N(6)-Methyllysine
ME829987
164795
C02728
-
-
equol glucuronide
-
ME829988
46781484
-
-
-
N-acetylcarnosine
N-Acetylcarnosine
ME829989
9903482
-
-
-
dimethyl sulfone
Dimethyl sulfone
ME829990
6213
C11142
-
-
2-piperidinone
2-Piperidinone
ME829991
12665
-
-
-
S-allylcysteine
S-Allylcysteine
ME829992
98280
-
-
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME829993
227939
-
-
-
methionine sulfone
Methionine sulfone
ME829994
69961
-
-
-
fructosyllysine
Fructosyllysine
ME829995
9839580
-
-
-
3-methylglutarylcarnitine (2)
CAR DC5:0;3Me
ME829996
128145
-
-
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME829997
10981970
-
-
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME829998
-
C01074
-
-
adipoylcarnitine (C6-DC)
CAR DC6:0
ME829999
71296139
-
-
-
pregabalin
Pregabalin
ME830000
5486971
-
-
-
methylsuccinoylcarnitine
-
ME830001
-
-
-
-
succinylglutamine
-
ME830002
-
-
-
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME830003
150971
-
-
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME830004
65254
-
-
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME830005
14274897
-
-
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME830006
-
C01029,C00612
-
-
3-hydroxystachydrine*
3-Hydroxystachydrine
ME830007
46173781
C10151
-
-
hydroxyasparagine**
Hydroxyasparagine
ME830008
15991574
C20631
-
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME830009
-
-
-
-
gamma-glutamylcitrulline*
gamma-Glutamylcitrulline
ME830010
-
-
-
-
diacetylspermidine*
-
ME830011
132680
C03413
-
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME830012
5200225
-
-
-
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME830013
193344
C05545
-
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME830014
131802901
-
-
-
N2-acetyl,N6-methyllysine
N2-Acetyl,N6-methyllysine
ME830015
-
-
-
-
hydroxy-N6,N6,N6-trimethyllysine*
-
ME830016
-
-
-
-
N,N-dimethyl-pro-pro
-
ME830017
-
-
-
-
X-10457
-
ME830018
-
-
-
-
X-11787
-
ME830019
-
-
-
-
X-11795
-
ME830020
-
-
-
-
X-12100
-
ME830021
-
-
-
-
X-12101
-
ME830022
-
-
-
-
X-12127
-
ME830023
-
-
-
-
X-12680
-
ME830024
-
-
-
-
X-12689
-
ME830025
-
-
-
-
X-13684
-
ME830026
-
-
-
-
X-14056
-
ME830027
-
-
-
-
X-16580
-
ME830028
-
-
-
-
X-22162
-
ME830029
-
-
-
-
X-23583
-
ME830030
-
-
-
-
X-23587
-
ME830031
-
-
-
-
X-23593
-
ME830032
-
-
-
-
X-23639
-
ME830033
-
-
-
-
X-23644
-
ME830034
-
-
-
-
X-23666
-
ME830035
-
-
-
-
X-23739
-
ME830036
-
-
-
-
X-24228
-
ME830037
-
-
-
-
X-24408
-
ME830038
-
-
-
-
X-24411
-
ME830039
-
-
-
-
X-24422
-
ME830040
-
-
-
-
X-24520
-
ME830041
-
-
-
-
X-24728
-
ME830042
-
-
-
-
X-24736
-
ME830043
-
-
-
-
X-25109
-
ME830044
-
-
-
-
X-25217
-
ME830045
-
-
-
-
X-25271
-
ME830046
-
-
-
-
X-25790
-
ME830047
-
-
-
-
X-25936
-
ME830048
-
-
-
-
X-25983
-
ME830049
-
-
-
-
X-26008
-
ME830050
-
-
-
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
cholesterol
Cholesterol
ME830051
-
C00187
-
-
bilirubin (Z,Z)
Bilirubin
ME830052
5280352
C00486
-
-
alpha-tocopherol
alpha-Tocopherol
ME830053
86472
C02477
-
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME830054
5287971
-
-
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME830055
6453725
C00550
-
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME830056
6436017
C13875
-
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME830057
452110
D03585
-
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME830058
129657
-
-
-
octanoylcarnitine (C8)
CAR 8:0
ME830059
-
C02838
-
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME830060
86554
C04102
-
-
piperine
Piperine
ME830061
638024
C03882
-
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME830062
16081932
C03916
-
-
heme
Heme
ME830063
26945
C00032
-
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME830064
16219824
-
-
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME830065
6443882
-
-
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME830066
9939941
-
-
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME830067
11433862
-
-
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME830068
-
-
-
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME830069
44260126
-
-
-
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME830070
44260124
-
-
-
sphingomyelin (d18:1/20:1, d18:2/20:0)*
SM 38:2;O2
ME830071
-
-
-
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...
SM 40:2;O2
ME830072
-
-
-
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME830073
24778825
-
-
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME830074
10747814
C05208
-
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME830075
6441886
-
-
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME830076
24778876
-
-
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME830077
24778686
C03889
-
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME830078
9939965
-
-
-
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME830079
85336023
-
-
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME830080
5289133
C05210
-
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME830081
6443788
-
-
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*
PE 18:0/22:6
ME830082
9546798
-
-
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME830083
9547058
-
-
-
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
ME830084
34779384
-
-
-
X-13431
-
ME830085
-
-
-
-
X-24027
-
ME830086
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME830087
1826
C05635
-
-
2-methylcitrate
2-Methylcitric acid
ME830088
12898022
C02225
-
-
2-oxoadipate
Oxoadipic acid
ME830089
71
C00322
-
-
homovanillate (HVA)
Homovanillic acid
ME830090
1738
C05582
-
-
cholate
Cholic acid
ME830091
221493
C00695
-
-
N-formylmethionine
N-Formylmethionine
ME830092
439750
C03145
-
-
adenosine 3',5'-cyclic monophosphate (cAMP)
3',5' cyclic AMP
ME830093
6076
C00575
-
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME830094
9378
C03672
-
-
cortisone
Cortisone
ME830095
222786
C00762
-
-
deoxycholate
Deoxycholic acid
ME830096
-
C04483
-
-
cortisol
Cortisol
ME830097
5754
C00735
-
-
2'-deoxyuridine
Deoxyuridine
ME830098
13712
C00526
-
-
tryptophan
Tryptophan
ME830099
6305
C00078
-
-
uracil
Uracil
ME830100
1174
C00106
-
-
cytidine
Cytidine
ME830101
6175
C00475
-
-
xanthine
Xanthine
ME830102
1188
C00385
-
-
5-oxoproline
Pyroglutamic acid
ME830103
-
C02237,C01879
-
-
N-acetylleucine
N-Acetylleucine
ME830104
70912
C02710
-
-
N-acetylmethionine
N-Acetylmethionine
ME830105
448580
C02712
-
-
N-acetylvaline
N-Acetylvaline
ME830106
66789
-
-
-
N-acetylalanine
N-Acetylalanine
ME830107
88064
C02847
-
-
chenodeoxycholate
Chenodeoxycholic acid
ME830108
10133
C02528
-
-
citrate
Citric acid
ME830109
311
C00158
-
-
5,6-dihydrouracil
Dihydrouracil
ME830110
649
C00429
-
-
urate
Uric acid
ME830111
1175
C00366
-
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME830112
979
C01179
-
-
butyrate/isobutyrate (4:0)
Butyric acid
ME830113
264
C00246
-
-
creatine
Creatine
ME830114
586
C00300
-
-
5-methyltetrahydrofolate (5MeTHF)
5-Methyl-THF
ME830115
3729
C00440
-
-
glycerol
Glycerol
ME830116
753
C00116
-
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME830117
151023
-
-
-
4-acetamidophenol
Acetaminophen
ME830118
1983
C06804
-
-
topiramate
Topiramate
ME830119
5284627
D00537
-
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME830120
69362
-
-
-
4-acetaminophen sulfate
Paracetamol sulfate
ME830121
83939
C06804
-
-
benzoate
Benzoic acid
ME830122
243
C00180
-
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME830123
107
C05629
-
-
phenylacetate
Phenyl acetate
ME830124
999
C07086
-
-
hippurate
Hippuric acid
ME830125
464
C01586
-
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME830126
-
C03465,C06008,C00671
-
-
3-methylhistidine
3-Methylhistidine
ME830127
64969
C01152
-
-
4-acetamidophenylglucuronide
p-Acetamidophenylglucuronide
ME830128
-
-
-
-
tartarate
Tartaric acid
ME830129
-
C00552,C02107,C00898
-
-
xanthosine
Xanthosine
ME830130
64959
C01762
-
-
theophylline
Theophylline
ME830131
2153
C07130
-
-
paraxanthine
Paraxanthine
ME830132
4687
C13747
-
-
indolelactate
Indolelactic acid
ME830133
92904
C02043
-
-
3-indoxyl sulfate
Indoxyl sulfate
ME830134
10258
-
-
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME830135
111299
-
-
-
4-methyl-2-oxopentanoate
Ketoleucine
ME830136
70
C00233
-
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME830137
64960
C07326
-
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME830138
-
C03264
-
-
isovalerate (i5:0)
Isovaleric acid
ME830139
10430
C08262
-
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME830140
26613
C20793
-
-
phenyllactate (PLA)
Phenyllactic acid
ME830141
3848
C05607
-
-
cysteine s-sulfate
Cysteine-S-sulfate
ME830142
115015
C05824
-
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME830143
45
C02287
-
-
oxalate (ethanedioate)
Oxalic acid
ME830144
971
C00209
-
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME830145
26612
-
-
-
3-methylxanthine
3-Methylxanthine
ME830146
70639
C16357
-
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME830147
188979
-
-
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME830148
123979
-
-
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME830149
74839
C03519
-
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME830150
497300
-
-
-
N-acetylisoleucine
N-Acetylisoleucine
ME830151
306109
-
-
-
N-acetylhistidine
N-Acetylhistidine
ME830152
75619
C02997
-
-
p-cresol sulfate
p-Cresol sulfate
ME830153
4615423
-
-
-
aconitate [cis or trans]
cis-Aconitic acid
ME830154
-
C004174,C02341
-
-
1-methylxanthine
1-Methylxanthine
ME830155
80220
C16358
-
-
N4-acetylcytidine
N4-Acetylcytidine
ME830156
107461
-
-
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME830157
92258
C04148
-
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME830158
94312
-
-
-
3-(3-amino-3-carboxypropyl)uridine*
3-(3-amino-3-carboxypropyl)uridine
ME830159
171198
-
-
-
5-methyluridine (ribothymidine)
Ribothymidine
ME830160
445408
-
-
-
N2-methylguanosine
2-Methylguanosine
ME830161
135501934
-
-
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME830162
69698
C05842
-
-
phenol sulfate
Phenyl hydrogen sulfate
ME830163
74426
C02180
-
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME830164
164623
-
-
-
catechol sulfate
Catechol sulfate
ME830165
3083879
-
-
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME830166
3081085
C17337
-
-
N6-succinyladenosine
Succinyladenosine
ME830167
165243
-
-
-
N6-acetyllysine
N6-Acetyllysine
ME830168
92832
C02727
-
-
thymol sulfate
Thymol sulfate
ME830169
12456386
C09908
-
-
androstenediol (3beta,17beta) disulfate (1)
4-Androsten-3beta,17beta-diol disulfate
ME830170
87120982
C04295
-
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME830171
76406
C01073
-
-
4-methylbenzenesulfonate
Toluene-4-sulfonic acid
ME830172
85570
C06677
-
-
sulfate*
Sulfate
ME830173
5152822
C00059
-
-
S-methylcysteine
Methylcysteine
ME830174
-
-
-
-
2-O-methylascorbic acid
2-O-Methylascorbic acid
ME830175
54726398
-
-
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME830176
189741
C20775
-
-
3-hydroxyindolin-2-one
3-Hydroxyindolin-2-one
ME830177
6097
C11130
-
-
4-methylcatechol sulfate
-
ME830178
54104170
-
-
-
guaiacol sulfate
Guaiacol sulfate
ME830179
22473
-
-
-
2-aminooctanoate
2-Aminocaprylic acid
ME830180
69522
-
-
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME830181
181670
-
-
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME830182
3014237
-
-
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME830183
9920500
C00437
-
-
acisoga
Acisoga
ME830184
129397
-
-
-
3-methoxytyramine sulfate
3-Methoxytyramine sulfate
ME830185
54133459
-
-
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME830186
514186
-
-
-
N-acetyltaurine
N-Acetyltaurine
ME830187
159864
-
-
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME830188
-
-
-
-
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME830189
122136
C13690
-
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME830190
151492
-
-
-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ME830191
194501
-
-
-
tetradecadienoate (14:2)*
Tetradecadienoic acid
ME830192
5312409
-
-
-
ethyl beta-glucopyranoside
-
ME830193
121667
-
-
-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
ME830194
-
-
-
-
cis-3,4-methyleneheptanoate
-
ME830195
-
-
-
-
X-11299
-
ME830196
-
-
-
-
X-11381
-
ME830197
-
-
-
-
X-11478
-
ME830198
-
-
-
-
X-11612
-
ME830199
-
-
-
-
X-12007
-
ME830200
-
-
-
-
X-12015
-
ME830201
-
-
-
-
X-12026
-
ME830202
-
-
-
-
X-12104
-
ME830203
-
-
-
-
X-12411
-
ME830204
-
-
-
-
X-12844
-
ME830205
-
-
-
-
X-12906
-
ME830206
-
-
-
-
X-13728
-
ME830207
-
-
-
-
X-15245
-
ME830208
-
-
-
-
X-15674
-
ME830209
-
-
-
-
X-18887
-
ME830210
-
-
-
-
X-19438
-
ME830211
-
-
-
-
X-21286
-
ME830212
-
-
-
-
X-21733
-
ME830213
-
-
-
-
X-22143
-
ME830214
-
-
-
-
X-23195
-
ME830215
-
-
-
-
X-24295
-
ME830216
-
-
-
-
X-24337
-
ME830217
-
-
-
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
alpha-ketoglutarate
2-Oxoglutaric acid
ME830218
51
C00026
-
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME830219
11966314
C01188,C06001
-
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME830220
-
C03761
-
-
succinate
Succinic acid
ME830221
1110
C00042
-
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME830222
-
C03197,C01089
-
-
gluconate
Gluconic acid
ME830223
-
C00257
-
-
inosine
Inosine
ME830224
6021
C00294
-
-
myo-inositol
Myo-inositol
ME830225
892
C00137
-
-
saccharopine
Saccharopine
ME830226
160556
C00449
-
-
malate
Malic acid
ME830227
525
C00149,C00711,C00497
-
-
methionine
Methionine
ME830228
6137
C00073
-
-
orotate
Orotic acid
ME830229
967
C00295
-
-
lactate
Lactic acid
ME830230
612
C00186
-
-
salicylate
Salicylic acid
ME830231
338
C00805
-
-
taurine
Taurine
ME830232
1123
C00245
-
-
glucose
Glucose
ME830233
5793
C00031
-
-
alpha-ketobutyrate
3-Methyl pyruvic acid
ME830234
58
C00109
-
-
mannose
Mannose
ME830235
-
C00159,C02209,C00936
-
-
malonate
Malonic acid
ME830236
867
C00383
-
-
pseudouridine
Pseudouridine
ME830237
15047
C02067
-
-
pyruvate
Pyruvic acid
ME830238
1060
C00022
-
-
arabinose
Arabinose
ME830239
66308
C00216
-
-
fructose
Fructose
ME830240
2723872
C00095
-
-
ribose
Ribose
ME830241
5779
C00121
-
-
sucrose
Sucrose
ME830242
5988
C00089
-
-
allantoin
Allantoin
ME830243
-
C02348,C01551,C02350
-
-
pantothenate
Pantothenic acid
ME830244
6613
C00864
-
-
phosphoethanolamine
Phosphoethanolamine
ME830245
1015
C00346
-
-
glycerate
Glyceric acid
ME830246
-
C00258
-
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME830247
18189
C02946
-
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME830248
439197
C00270
-
-
isocitrate
Isocitric acid
ME830249
5318532
C00451
-
-
ethylmalonate
Ethylmalonic acid
ME830250
11756
-
-
-
methionine sulfoxide
Methionine sulfoxide
ME830251
158980
C02989
-
-
creatine phosphate
Phosphocreatine
ME830252
-
C02305
-
-
glucuronate
Glucuronic acid
ME830253
-
C16245
-
-
N-acetylglutamate
N-Acetylglutamic acid
ME830254
70914
C00624
-
-
ribitol
Ribitol
ME830255
6912
C00379,C01904,C00474,C00532
-
-
2-isopropylmalate
2-Isopropylmalic acid
ME830256
77
C02504
-
-
quinate
Quinic acid
ME830257
6508
C00296
-
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME830258
-
-
-
-
maleate
Maleic acid
ME830259
444266
C01384
-
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME830260
65065
C01042
-
-
erythritol
Erythritol
ME830261
222285
C00503
-
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME830262
49
C00141
-
-
citramalate
Citramalic acid
ME830263
1081
C00815
-
-
N-acetylglycine
N-Acetylglycine
ME830264
10972
-
-
-
ribonate
Ribonic acid
ME830265
5460677
C01685
-
-
threonate
Threonic acid
ME830266
-
C01620
-
-
galactonate
Galactonic acid
ME830267
-
C00880,C15930
-
-
pyridoxate
4-Pyridoxic acid
ME830268
6723
C00847
-
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME830269
193530
C02360
-
-
N-acetylthreonine
N-Acetylthreonine
ME830270
152204
-
-
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME830271
99823
-
-
-
erythronate*
Erythronic acid
ME830272
2781043
-
-
-
5-acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME830273
88299
C16366
-
-
orotidine
Orotidine
ME830274
92751
-
-
-
gulonate*
Gulonic acid
ME830275
152304
C00800
-
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME830276
167572
-
-
-
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid
ME830277
150929
-
-
-
mannitol/sorbitol
Sorbitol
ME830278
-
C00392,C00794
-
-
N-acetylserine
N-Acetylserine
ME830279
65249
-
-
-
chiro-inositol
1D-chiro-Inositol
ME830280
-
C19891
-
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME830281
43
C02630
-
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME830282
10964471
-
-
-
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME830283
13120901
-
-
-
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME830284
48
C00940
-
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME830285
677
C04039
-
-
3-methylglutaconate
3E-Methylglutaconic acid
ME830286
1551553
-
-
-
mannonate*
Mannonic acid
ME830287
3246006
-
-
-
dimethylmalonic acid
Dimethylmalonic acid
ME830288
11686
-
-
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME830289
-
-
-
-
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME830290
161227
C00204
-
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME830291
-
C00502,C05411
-
-
acesulfame
Acesulfame
ME830292
36573
-
-
-
arabitol/xylitol
Arabitol
ME830293
-
C00379,C00542,C01904
-
-
citraconate/glutaconate
Citraconic acid/Glutaconic acid
ME830294
-
C02226,C02214
-
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME830295
-
C21297,C05984
-
-
lyxonate
D-Lyxonic acid
ME830296
-
-
-
-
ascorbic acid 3-sulfate*
-
ME830297
11425365
-
-
-
2,6-dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME830298
9338
-
-
-
pentose acid*
Valeric acid
ME830299
7991
C00803
-
-
N-acetyl-2-aminoadipate
-
ME830300
443992
C12986
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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