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Return to study ST001902 main page
Analysis: Normal phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Dimethylglycine M0
Dimethylglycine
ME436563
-
C01026
4.5
104.0706
Creatinine M0
Creatinine
ME436610
-
C00300
3.9
114.0662
Creatinine M1
Creatinine
ME436611
-
C00300
3.9
115.0695
Nicotinamide
Niacinamide
ME436619
-
C00153
2.8
123.0553
Valine Std
Valine
ME436581
-
C00183
6.3
124.1
Threonine Std
Threonine
ME436578
-
C00188
8.2
125.076
Pipecolate M0
Pipecolic acid
ME436576
-
C00408
9.8
130.0863
Hydroxyproline M0
Hydroxyproline
ME436566
-
C01157
7.2
132.0655
Creatine M0
Creatine
ME436608
-
C00300
7
132.0768
Hydroxyproline M1
Hydroxyproline
ME436567
-
C01157
7.2
133.0689
Creatine M1
Creatine
ME436609
-
C00300
7
133.0801
Adenine M0
Adenine
ME436639
-
C00147
5.4
136.0618
Hypoxanthine M0
Hypoxanthine
ME436645
-
C00262
8.3
137.0458
Tyramine
Tyramine
ME436579
-
C00483
2.6
138.0913
Leucine-Isoleucine Std
Leucine/Isoleucine
ME436568
-
C00123
6
139.119
Methionine M0
Methionine
ME436570
-
C00073
6.7
150.0583
Methionine M1
Methionine
ME436571
-
C00073
6.7
151.0617
Methionine M4
Methionine
ME436572
-
C00073
6.7
154.0717
Methionine M5
Methionine
ME436573
-
C00073
6.7
155.0751
Lysine Std
Lysine
ME436569
-
C00047
9.5
155.127
Methionine Std
Methionine
ME436574
-
C00073
6.7
156.0721
Histidine
Histidine
ME436564
-
C00135
8.8
156.0768
Histidine Std
Histidine
ME436565
-
C00135
8.8
165.0879
Citrulline M0
Citrulline
ME436646
-
C00327
8.7
176.103
Phenylalanine Std
Phenylalanine
ME436575
-
C00079
6.5
176.1134
Arginine Std
Arginine
ME436562
-
C00062
9
185.1272
Tyrosine Std
Tyrosine
ME436580
-
C00082
8
192.1084
Phosphocreatine M0
Phosphocreatine
ME436620
-
C02305
16.1
212.0431
Phosphocreatine M1
Phosphocreatine
ME436621
-
C02305
16.1
213.0464
U M2
23-Nordeoxycholic acid
ME436644
-
C00299
4.9
247.0835
dA M0
Deoxyadenosine
ME436622
-
C00559
3.7
252.1086
dG M0
Deoxyguanosine
ME436623
-
C00330
4
268.1035
A M0
Alanine
ME436632
-
C00212
4
268.104
Inosine M0
Inosine
ME436642
-
C00294
8.6
269.0881
dG M1
Deoxyguanosine
ME436624
-
C00330
4
269.1069
A M1
Alanine
ME436633
-
C00212
4
269.1074
dG M2
Deoxyguanosine
ME436625
-
C00330
4
270.1102
A M2
Alanine
ME436634
-
C00212
4
270.1107
dG M3
Deoxyguanosine
ME436626
-
C00330
4
271.1136
A M3
Alanine
ME436635
-
C00212
4
271.1141
dG M4
Deoxyguanosine
ME436627
-
C00330
4
272.1169
A M4
Alanine
ME436636
-
C00212
4
272.1174
dG M5
Deoxyguanosine
ME436628
-
C00330
4
273.1203
A M5
Alanine
ME436637
-
C00212
4
273.1208
Inosine M5
Inosine
ME436643
-
C00294
8.6
274.1048
dG M6
Deoxyguanosine
ME436629
-
C00330
4
274.1236
A M6
Alanine
ME436638
-
C00212
4
274.1241
G M0
Glycine
ME436640
-
C00387
7.7
284.099
G M5
Glycine
ME436641
-
C00387
7.7
289.1157
5'-Methyladenosine M0
-
ME436556
-
C00170
3.2
298.0968
5'-Methyladenosine M1
-
ME436557
-
C00170
3.2
299.1002
5'-Methyladenosine M2
-
ME436558
-
C00170
3.2
300.1035
5'-Methyladenosine M4
-
ME436559
-
C00170
3.2
302.1102
5'-Methyladenosine M5
-
ME436560
-
C00170
3.2
303.1136
5'-Methyladenosine M6
-
ME436561
-
C00170
3.2
304.1169
GSSG M0
Oxidized glutathione
ME436612
-
C00127
17
613.1592
GSSG M1
Oxidized glutathione
ME436613
-
C00127
17
614.1626
GSSG M2
Oxidized glutathione
ME436614
-
C00127
17
615.1659
GSSG M3
Oxidized glutathione
ME436615
-
C00127
17
616.1693
GSSG M4
Oxidized glutathione
ME436616
-
C00127
17
617.1726
GSSG M5
Oxidized glutathione
ME436617
-
C00127
17
618.176
GSSG M6
Oxidized glutathione
ME436618
-
C00127
17
619.1793
CoA M0
Coenzyme A
ME436596
-
C00010
21.8
768.1225
CoA M1
Coenzyme A
ME436597
-
C00010
21.8
769.1258
CoA M2
Coenzyme A
ME436598
-
C00010
21.8
770.1292
CoA M4
Coenzyme A
ME436599
-
C00010
21.8
772.1359
CoA M5
Coenzyme A
ME436600
-
C00010
21.8
773.1392
CoA M6
Coenzyme A
ME436601
-
C00010
21.8
774.1426
Glycine Std
Glycine
ME436631
-
C00037
8.7
79.043
Acetyl-CoA M0
Acetyl-CoA
ME436587
-
C00024
22
810.1331
Acetyl-CoA M1
Acetyl-CoA
ME436588
-
C00024
22
811.1364
Acetyl-CoA M2
Acetyl-CoA
ME436589
-
C00024
22
812.1398
Acetyl-CoA M3
Acetyl-CoA
ME436590
-
C00024
22
813.1431
Acetyl-CoA M4
Acetyl-CoA
ME436591
-
C00024
22
814.1465
Acetyl-CoA M5
Acetyl-CoA
ME436592
-
C00024
22
815.1498
Acetyl-CoA M6
Acetyl-CoA
ME436593
-
C00024
22
816.1532
Acetyl-CoA M7
Acetyl-CoA
ME436594
-
C00024
22
817.1565
Acetyl-CoA M8
Acetyl-CoA
ME436595
-
C00024
22
818.1599
Propanoyl-CoA M0
Propionyl-CoA
ME436603
-
C00100
21.5
824.1487
Propanoyl-CoA M1
Propionyl-CoA
ME436604
-
C00100
21.5
825.1521
Propanoyl-CoA M5
Propionyl-CoA
ME436606
-
C00100
21.5
829.1655
Propanoyl-CoA M6
Propionyl-CoA
ME436607
-
C00100
21.5
830.1688
2-Methylpropanoyl-CoA M2
Isobutyryl-CoA
ME436585
-
C00630
22
840.1711
2-Methylpropanoyl-CoA M4
Isobutyryl-CoA
ME436586
-
C00630
22
842.1778
Propanoyl-CoA M19
Propionyl-CoA
ME436605
-
C00100
21.5
843.2124
2-Methylpropanoyl-CoA M13
Isobutyryl-CoA
ME436582
-
C00630
22
851.2079
2-Methylpropanoyl-CoA M18
Isobutyryl-CoA
ME436583
-
C00630
22
856.2247
2-Methylpropanoyl-CoA M19
Isobutyryl-CoA
ME436584
-
C00630
22
857.228
Sarcosine M0
Sarcosine
ME436577
-
C00213
8
90.055
HMG-CoA M5
3-Hydroxy-3-methylglutaryl-CoA
ME436602
-
C00356
22.5
917.1815
Alanine Std
Alanine
ME436630
-
C00041
7
94.062
Analysis: Normal phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Serine Std
Serine
ME436674
-
C00065
9.3
108.0424
Uracil M0
Uracil
ME436743
-
C00106
3.75
111.02
Uracil M1
Uracil
ME436744
-
C00106
3.75
112.0234
Thiosulfate
-
ME436759
-
C00320
17
112.9373
Uracil M2
Uracil
ME436745
-
C00106
3.75
113.0267
Uracil M3
Uracil
ME436746
-
C00106
3.75
114.0301
Norvaline
Norvaline
ME436655
-
C01799
7.1
116.0717
Thymine M0
Thymine
ME436718
-
C00178
3.2
125.0357
5-Oxoproline M0
Pyroglutamic acid
ME436648
-
C01879
9.8
128.0353
5-Oxoproline M1
Pyroglutamic acid
ME436649
-
C01879
9.8
129.0387
5-Oxoproline M2
Pyroglutamic acid
ME436650
-
C01879
9.8
130.042
5-Oxoproline M3
Pyroglutamic acid
ME436651
-
C01879
9.8
131.0454
5-Oxoproline M4
Pyroglutamic acid
ME436652
-
C01879
9.8
132.0487
5-Oxoproline M5
Pyroglutamic acid
ME436653
-
C01879
9.8
133.0521
Homocysteine M0
Homocysteine
ME436654
-
C00155
7.9
135.0315
Phosphoethanolamine M0
Phosphoethanolamine
ME436668
-
C00346
14
140.0118
2-HG M0
2-Hydroxyglutaric acid
ME436748
-
C02630
15.5
147.0299
2-HG M1
2-Hydroxyglutaric acid
ME436749
-
C02630
15.5
148.0333
2-HG M2
2-Hydroxyglutaric acid
ME436750
-
C02630
15.5
149.0366
Xanthine M0
Xanthine
ME436747
-
C00385
11.5
151.0262
Glutamate Std
Glutamic acid
ME436755
-
C00025
13.5
152.0597
2-Oxoadipate M0
Oxoadipic acid
ME436647
-
C00322
16.2
159.0299
Aconitic acid M0
cis-Aconitic acid
ME436751
-
C00417
19
173.0092
Aconitic acid M1
cis-Aconitic acid
ME436752
-
C00417
19
174.0125
Aconitic acid M2
cis-Aconitic acid
ME436753
-
C00417
19
175.0159
Aconitic acid M3
cis-Aconitic acid
ME436754
-
C00417
19
176.0192
Pyrophosphate
Pyrophosphate
ME436758
-
C00013
23
176.936
Inositol
Inositol
ME436672
-
C00137
6.4
179.0561
Sorbitol M0
Sorbitol
ME436675
-
C00794
5.5
181.0718
Sorbitol M6
Sorbitol
ME436676
-
C00794
5.5
187.0919
Glucuronic Acid M3
Glucuronic acid
ME436692
-
C00191
13
196.0454
Glucuronic Acid M4
Glucuronic acid
ME436693
-
C00191
13
197.0488
Glucuronic Acid M5
Glucuronic acid
ME436694
-
C00191
13
198.0521
Glucuronic Acid M6
Glucuronic acid
ME436695
-
C00191
13
199.0555
Pantothenic acid (Vitamin B5)
Pantothenic acid
ME436756
-
C00864
10.2
218.1034
dU M0
Deoxyuridine
ME436666
-
C00526
3.9
227.0673
dU M4
Deoxyuridine
ME436667
-
C00526
3.9
231.0807
T M0
Threonine
ME436717
-
C00214
3.5
241.083
Hexose phosphate M0
Hexose 6-phosphate
ME436669
-
C00085
16
259.0224
Hexose phosphate M5
Hexose 6-phosphate
ME436670
-
C00085
16
264.0392
Hexose phosphate M6
Hexose 6-phosphate
ME436671
-
C00085
16
265.0425
Orotidine M5
Orotidine
ME436656
-
X00006
13
292.0688
Orotidine M8
Orotidine
ME436657
-
X00006
13
295.0789
dCMP M0
dCMP
ME436660
-
C00239
17
306.0497
dCMP M1
dCMP
ME436661
-
C00239
17
307.053
GlcNAc-6-phosphate M7
N-Acetyl-glucosamine 6-phosphate
ME436690
-
C00357
16.2
307.0724
dCMP M2
dCMP
ME436662
-
C00239
17
308.0564
GlcNAc-6-phosphate M8
N-Acetyl-glucosamine 6-phosphate
ME436691
-
C00357
15.5
308.0758
CMP M0
CMP
ME436707
-
C00055
16.3
322.0446
UMP M0
UMP
ME436739
-
C00105
16.5
323.0286
dTMP M2
dTMP
ME436663
-
C00364
16.5
323.056
dTMP M3
dTMP
ME436664
-
C00364
16.5
324.0594
dTMP M4
dTMP
ME436665
-
C00364
16.5
325.0627
UMP M5
UMP
ME436740
-
C00105
16.5
328.0453
UMP M6
UMP
ME436741
-
C00105
16.5
329.0487
UMP M7
UMP
ME436742
-
C00105
16.5
330.052
IMP M0
IMP
ME436735
-
C00130
18
347.0398
IMP M5
IMP
ME436736
-
C00130
18
352.0566
GMP M0
GMP
ME436713
-
C00144
17.5
362.0507
GMP M5
GMP
ME436714
-
C00144
17.5
367.0675
PRPP M0
Phosphoribosyl pyrophosphate
ME436737
-
C00119
24
388.9445
PRPP M5
Phosphoribosyl pyrophosphate
ME436738
-
C00119
24
393.9613
CDP M0
CDP
ME436705
-
C00112
19.1
402.0109
UDP M0
UDP
ME436719
-
C00015
19.5
402.9949
UDP M1
UDP
ME436720
-
C00015
19.5
403.9983
UDP M2
UDP
ME436721
-
C00015
19.5
405.0016
UDP M4
UDP
ME436722
-
C00015
19.5
407.0083
CDP M5
CDP
ME436706
-
C00112
19.1
407.0277
UDP M5
UDP
ME436723
-
C00015
19.5
408.0117
UDP M6
UDP
ME436724
-
C00015
19.5
409.015
UDP M7
UDP
ME436725
-
C00015
19.5
410.0184
UDP M8
UDP
ME436726
-
C00015
19.5
411.0217
GDP M0
GDP
ME436710
-
C00035
21
442.0171
GDP M4
GDP
ME436711
-
C00035
21
446.0305
GDP M5
GDP
ME436712
-
C00035
21
447.0338
CTP M0
CTP
ME436708
-
C00063
21.5
481.9772
UTP M0
UTP
ME436727
-
C00075
22.5
482.9613
UTP M1
UTP
ME436728
-
C00075
22.5
483.9646
UTP M2
UTP
ME436729
-
C00075
22.5
484.968
UTP M4
UTP
ME436730
-
C00075
22.5
486.9747
CTP M5
CTP
ME436709
-
C00063
21.5
486.994
UTP M5
UTP
ME436731
-
C00075
22.5
487.978
UTP M6
UTP
ME436732
-
C00075
22.5
488.9814
UTP M7
UTP
ME436733
-
C00075
22.5
489.9847
UTP M8
UTP
ME436734
-
C00075
22.5
490.9881
ATP M7
ATP
ME436658
-
C00002
23
513.0119
GTP M0
GTP
ME436715
-
C00044
25
521.9834
GTP M5
GTP
ME436716
-
C00044
25
527.0001
UDP-Glucose M0
UDP-glucose
ME436677
-
C00029
16.6
565.0477
UDP-Glucose M3
UDP-glucose
ME436683
-
C00029
16.6
568.0578
UDP-Glucose M4
UDP-glucose
ME436684
-
C00029
16.6
569.0611
UDP-Glucose M5
UDP-glucose
ME436685
-
C00029
16.6
570.0645
UDP-Glucose M6
UDP-glucose
ME436686
-
C00029
16.6
571.0678
UDP-Glucose M7
UDP-glucose
ME436687
-
C00029
16.6
572.0712
UDP-Glucose M8
UDP-glucose
ME436688
-
C00029
16.6
573.0745
UDP-Glucose M9
UDP-glucose
ME436689
-
C00029
16.6
574.0779
UDP-Glucose M10
UDP-glucose
ME436678
-
C00029
16.6
575.0812
UDP-Glucose M11
UDP-glucose
ME436679
-
C00029
16.6
576.0846
UDP-Glucose M12
UDP-glucose
ME436680
-
C00029
16.6
577.0879
UDP-Glucose M13
UDP-glucose
ME436681
-
C00029
16.6
578.0913
UDP-Glucose M14
UDP-glucose
ME436682
-
C00029
16.6
579.0946
UDP-GlcNAc M7
UDP-N-acetylglucosamine
ME436702
-
C00043
16.3
613.0977
UDP-GlcNAc M8
UDP-N-acetylglucosamine
ME436703
-
C00043
16.3
614.1011
UDP-GlcNAc M9
UDP-N-acetylglucosamine
ME436704
-
C00043
16.3
615.1044
UDP-GlcNAc M10
UDP-N-acetylglucosamine
ME436696
-
C00043
16.3
616.1078
UDP-GlcNAc M11
UDP-N-acetylglucosamine
ME436697
-
C00043
16.3
617.1111
UDP-GlcNAc M12
UDP-N-acetylglucosamine
ME436698
-
C00043
16.3
618.1145
UDP-GlcNAc M13
UDP-N-acetylglucosamine
ME436699
-
C00043
16.3
619.1178
UDP-GlcNAc M14
UDP-N-acetylglucosamine
ME436700
-
C00043
16.3
620.1212
UDP-GlcNAc M15
UDP-N-acetylglucosamine
ME436701
-
C00043
16.3
621.1245
NADP+
NADP
ME436659
-
C00006
18.3
742.0682
Pyruvate M0
Pyruvic acid
ME436673
-
C00022
7
87.0088
Phosphate
Phosphoric acid
ME436757
-
C00009
16.8
96.9696
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