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