Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST002878 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
adenine
Adenine
ME746822
190
-
3.72
136.062
betaine
Betaine
ME746828
247
-
4.86
118.086
carnitine
Carnitine
ME746829
288
-
6.23
162.112
choline
Choline
ME746831
305
-
9.2
104.107
creatine
Creatine
ME746833
586
-
7.21
132.077
creatinine
Creatinine
ME746834
588
-
3.88
114.066
proline
Proline
ME746860
614
-
5.87
116.071
gamma-butyrobetaine
3-Dehydroxycarnitine
ME746838
725
-
6.28
146.118
glycine
Glycine
ME746840
750
-
7.89
76.039
histamine
Histamine
ME746842
774
-
9.88
112.087
cystathionine
Cystathionine
ME746835
834
-
9.09
223.075
kynurenine
Kynurenine
ME746847
846
-
4.12
209.092
nicotinamide
Niacinamide
ME746855
936
-
2.71
123.055
phosphocholine
Choline phosphate
ME746859
1014
-
8.19
184.074
sarcosine
Sarcosine
ME746864
1088
-
7.73
90.055
kynurenic acid
Kynurenic acid
ME746846
3845
-
2.62
190.05
NADP+
NADP
ME746854
5886
-
10.03
744.083
NAD+
NAD
ME746853
5892
-
7.68
664.116
alanine
Alanine
ME746825
5950
-
7.21
90.055
serine
Serine
ME746865
5951
-
7.84
106.05
lysine
Lysine
ME746850
5962
-
11.92
147.113
methionine
Methionine
ME746851
6137
-
4.96
150.058
phenylalanine
Phenylalanine
ME746858
6140
-
4.04
166.086
ornithine
Ornithine
ME746857
6262
-
10.95
133.097
asparagine
Asparagine
ME746827
6267
-
7.57
133.061
valine
Valine
ME746868
6287
-
5.54
118.086
threonine
Threonine
ME746866
6288
-
6.89
120.066
leucine / isoleucine
Leucine/Isoleucine
ME746849
6306
-
4.67
132.102
arginine
Arginine
ME746826
6322
-
12.3
175.119
citrulline
Citrulline
ME746832
9750
-
8.04
176.103
CDP-choline
CDP-choline
ME746830
13804
-
8.54
489.115
S-adenosyl-methionine
S-Adenosylmethionine
ME746863
34756
-
8.19
399.145
adenosine
Adenosine
ME746823
60961
-
3.51
268.104
dihydrourocanate
-
ME746837
70630
-
4.15
141.066
L-2-aminobutyric acid
2S-Aminobutyric acid
ME746848
80283
-
6.41
104.071
imidazoleacetate
Imidazoleacetic acid
ME746844
96215
-
5.6
127.05
propionyl-carnitine
CAR 3:0
ME746861
107738
-
3.88
218.139
methioninesulfoxide
Methionine sulfoxide
ME746852
158980
-
6.28
166.053
AIR
AIR
ME746824
161500
-
7.09
296.064
5'-methylthioadenosine
5'-Methylthioadenosine
ME746820
439176
-
2.5
298.097
3-hydroxy-trimethyllysine
-
ME746819
439460
-
9.36
205.155
N-trimethyllysine
N-6-Trimethyllysine
ME746856
440121
-
10.57
189.16
riboflavin
Riboflavin
ME746862
493570
-
3.19
377.146
glycerophosphocholine
sn-Glycero-3-phosphocholine
ME746839
657272
-
7.16
258.11
urocanate
Urocanic acid
ME746867
736715
-
5.28
139.05
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME746836
3080690
-
9.86
427.095
acetyl-carnitine
CAR 2:0
ME746821
7045767
-
4.7
204.123
imidazolepyruvate
-
ME746845
19604680
-
5.31
155.045
guanine
Guanine
ME746841
135398634
-
4.96
152.057
hypoxanthine
Hypoxanthine
ME746843
135398638
-
3.94
137.046
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
hydroxyglutarate
2-Hydroxyglutaric acid
ME746924
43
-
8.7
147.03
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME746869
49
-
2.37
115.04
alpha-ketoglutarate
2-Oxoglutaric acid
ME746876
51
-
8.9
145.014
4-aminobutyrate
gamma-Aminobutyric acid
ME746870
119
-
8.01
102.056
anthranilic acid
2-Aminobenzoic acid
ME746878
227
-
3.35
136.04
butyric acid
Butyric acid
ME746884
264
-
2.97
87.0452
carbamoyl-aspartate
Carbamoylaspartate
ME746886
279
-
9.72
175.036
citrate / isocitrate
Citric acid/Isocitric acid
ME746891
311
-
10.71
191.02
malate
Malic acid
ME746929
525
-
9.28
133.014
cystine
Cystine
ME746896
595
-
8.67
239.017
lactate
Lactic acid
ME746927
612
-
4.23
89.024
dihydroxyacetone-phosphate
Dihydroxyacetone phosphate
ME746901
668
-
8.75
168.991
glyceraldehyde-3-phosphate
Glyceraldehyde 3-phosphate
ME746916
729
-
11.09
168.991
glycerol-3-phosphate
sn-Glycero-3-phosphate
ME746917
754
-
8.48
171.006
palmitic acid
Palmitic acid
ME746937
985
-
1.68
255.233
phosphate
Phosphoric acid
ME746938
1004
-
6.58
96.97
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME746941
1005
-
10.43
166.975
phosphorylethanolamine
Phosphoethanolamine
ME746943
1015
-
8.9
140.012
propionic acid
Propionic acid
ME746945
1032
-
3.91
73.0295
pyruvate
Pyruvic acid
ME746946
1060
-
3.49
87.009
quinolinic acid
Quinolinic acid
ME746947
1066
-
3.86
166.015
succinate
Succinic acid
ME746955
1110
-
8.7
117.019
taurine
Taurine
ME746956
1123
-
7.28
124.007
thymine
Thymine
ME746959
1135
-
2.69
125.036
uracil
Uracil
ME746967
1174
-
3.38
111.02
uric acid
Uric acid
ME746968
1175
-
6.47
167.021
xanthine
Xanthine
ME746972
1188
-
5.57
151.026
lauric acid
Lauric acid
ME746928
3893
-
1.77
199.17
stearic acid
Stearic acid
ME746954
5281
-
1.68
283.264
sorbitol
Sorbitol
ME746953
5780
-
6.58
181.072
thymidine
Thymidine
ME746958
5789
-
2.69
241.083
glucose
Glucose
ME746912
5793
-
7.02
179.056
cysteine
Cysteine
ME746895
5862
-
8.71
120.012
NADPH
NADPH
ME746934
5884
-
10.35
744.084
ATP
ATP
ME746883
5957
-
9.83
505.988
glucose-6-phosphate
Glucose 6-phosphate
ME746913
5958
-
9.89
259.022
aspartate
Aspartic acid
ME746882
5960
-
8.21
132.03
glutamine
Glutamine
ME746915
5961
-
7.44
145.062
ADP
ADP
ME746874
6022
-
8.8
426.022
uridine
Uridine
ME746969
6029
-
4.07
243.062
UMP
UMP
ME746966
6030
-
8.64
323.029
UDP
UDP
ME746963
6031
-
9.78
402.995
tyrosine
Tyrosine
ME746962
6057
-
6
180.067
AMP
AMP
ME746877
6083
-
7.6
346.056
CMP
CMP
ME746892
6131
-
8.8
322.045
CDP
CDP
ME746887
6132
-
10.21
402.011
UTP
UTP
ME746970
6133
-
10.82
482.961
cytidine
Cytidine
ME746897
6175
-
5.37
242.078
CTP
CTP
ME746894
6176
-
11.2
481.977
histidine
Histidine
ME746923
6274
-
7.02
154.062
tryptophan
Tryptophan
ME746961
6305
-
5.04
203.083
taurocholic acid
Taurocholic acid
ME746957
6675
-
2.06
514.284
valeric acid isomers
Valeric acid
ME746971
7991
-
2.43
101.061
caproic acid
Caproic acid
ME746885
8892
-
2.16
115.076
dTMP
dTMP
ME746902
9700
-
6.97
321.049
fructose-1;6-bisphosphate
-
ME746906
10267
-
11.03
338.989
arachidic acid
Arachidic acid
ME746879
10467
-
1.68
311.296
myristic acid
Myristic acid
ME746930
11005
-
1.72
227.202
UDP-glucuronic acid
UDP-glucuronic acid
ME746964
17473
-
11.72
579.027
glutamate
Glutamic acid
ME746914
33032
-
8.01
146.046
dTTP
dTTP
ME746903
64968
-
9.5
480.982
fructose-1-phosphate
Fructose 1-phosphate
ME746907
65246
-
8.64
259.022
GSSG
Oxidized glutathione
ME746920
65359
-
10.54
611.145
phosphoserine
Phosphoserine
ME746944
68841
-
9.61
184.002
fructose-6-phosphate
Fructose 6-phosphate
ME746908
69507
-
9.17
259.022
N-acetylglutamate
N-Acetylglutamic acid
ME746932
70914
-
7.86
188.056
CoA
Coenzyme A
ME746893
87642
-
7.76
766.108
6-phosphogluconic acid
6-Phosphogluconic acid
ME746871
91493
-
10.71
275.017
hypotaurine
Hypotaurine
ME746925
107812
-
7.38
108.012
erythrose-4-phosphate
Erythrose 4-phosphate
ME746904
122357
-
9.76
199.001
CDP-ethanolamine
CDP-Ethanolamine
ME746888
123727
-
9.33
445.053
GSH
Glutathione
ME746919
124886
-
7.86
306.077
saccharopine
Saccharopine
ME746949
160556
-
8.8
275.125
SAICAR
SAICAR
ME746951
160666
-
12.13
453.066
GAR
GAR
ME746910
160913
-
9.55
285.049
cholic acid
Cholic acid
ME746889
221493
-
2.12
407.28
deoxycholic acid
Deoxycholic acid
ME746898
222528
-
2
391.285
NADH
NADH
ME746933
439153
-
7.44
664.118
S-adenosyl-homocysteine
S-Adenosylhomocysteine
ME746950
439155
-
6.47
383.114
phosphoglycerate
Phosphoglyceric acid
ME746942
439183
-
9.94
184.986
rib/ribul/xylul-ose-phosphate
-
ME746948
439190
-
8.63
229.012
N-acetylglucosamine-phosphate
N-Acetyl-glucosamine 6-phosphate
ME746931
439219
-
8.42
300.049
argininosuccinate
Argininosuccinic acid
ME746880
439998
-
9.61
289.115
acetyl-CoA
Acetyl-CoA
ME746872
444493
-
6.86
808.119
fumarate
Fumaric acid
ME746909
444972
-
9.23
115.004
oleic acid
Oleic acid
ME746935
445639
-
1.68
281.249
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME746965
445675
-
8.75
606.074
adenylosuccinic acid
Adenylsuccinic acid
ME746873
447145
-
11.31
462.067
cis-aconitate
cis-Aconitic acid
ME746890
643757
-
10.71
173.009
orotate
Orotic acid
ME746936
1492348
-
4.83
155.01
fructose
Fructose
ME746905
2723872
-
6.26
179.056
trifluoromethanesulfonate
-
ME746960
2758875
-
1.95
148.953
xylulose
Xylulose
ME746974
5289590
-
4.93
149.046
phosphatidylethanolamine
-
ME746939
5327011
-
8.8
298.07
dihydroorotate
4,5-Dihydroorotic acid
ME746900
5461056
-
5.46
157.025
xylonic acid
Xylonic acid
ME746973
6602431
-
6.65
165.04
phosphocreatine
Phosphocreatine
ME746940
9548602
-
8.7
210.029
sedoheptulose-7-phosphate
Sedoheptulose 7-phosphate
ME746952
22833559
-
9.55
289.033
ascorbate
Vitamin C
ME746881
54670067
-
7.39
175.025
AICAR
AICAR
ME746875
90471726
-
8.04
337.059
deoxyinosine
Deoxyinosine
ME746899
135398593
-
3.91
251.079
GDP
GDP
ME746911
135398619
-
10.82
442.017
GMP
GMP
ME746918
135398631
-
9.78
362.051
GTP
GTP
ME746921
135398633
-
11.83
521.983
guanosine
Guanosine
ME746922
135398635
-
5.89
282.084
IMP
IMP
ME746926
135398640
-
8.96
347.04
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel