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Return to study ST000701 main page
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-AMINO-4-METHYLPENTANOIC ACID (LEUCINE)
Leucine
ME198952
6106
-
1.58
131.0948
2-OXOBUTANOATE
3-Methyl pyruvic acid
ME198953
58
-
0.903
102.0318
3-HYDROXY-3-METHYL-GLUTARIC ACID
3-Hydroxymethylglutaric acid
ME198954
1662
-
1.623
162.0529
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME198955
18189
-
1.819
145.0735
4-PYRIDOXIC ACID
4-Pyridoxic acid
ME198956
6723
-
1.879
183.053
5-HYDROXYTRYPTOPHAN
5-Hydroxy-tryptophan
ME198957
439280
-
1.784
220.0842
5-OXOPROLINE
Pyroglutamic acid
ME198958
7405
-
1.145
129.0426
5-OXOPROLINE - 1.1521429
Pyroglutamic acid
ME198959
7405
-
1.152
129.0425
ACONITIC ACID
cis-Aconitic acid
ME198960
444212
-
1.116
174.0162
ALLANTOIN
Allantoin
ME198961
439714
-
0.658
158.0432
ASPARTATE
Aspartic acid
ME198962
5960
-
0.658
276.0591
AZELAIC ACID
Azelaic acid
ME198963
2266
-
10.775
188.1047
CITRAMALIC ACID
Citramalic acid
ME198964
441696
-
1.394
148.0368
CITRIC ACID
Citric acid
ME198965
311
-
0.997
192.027
CITRIC ACID - 1.1011429
Citric acid
ME198966
311
-
1.101
192.0269
CORTISONE - 13.411
Cortisone
ME198968
222786
-
13.411
396.17
CORTISONE (M+HCOO)
Cortisone
ME198967
222786
-
13.416
406.1991
CYTIDINE
Cytidine
ME198969
6175
-
0.836
243.0846
ELAIDIC ACID
Elaidic acid
ME198970
637517
-
22.911
282.2556
FOLIC ACID
Folic acid
ME198971
6037
-
5.829
441.1398
FRUCTOSE - 0.6068571
Fructose
ME198972
5984
-
0.607
180.0628
GLUCONIC ACID
Gluconic acid
ME198973
10690
-
0.673
196.0569
GLUTAMINE
Glutamine
ME198974
5961
-
0.611
146.0689
GLUTAMINE - 0.6102857
Glutamine
ME198975
5961
-
0.61
128.0583
GLYCERALDEHYDE - 0.6068571
Glyceraldehyde
ME198977
79014
-
0.607
72.0216
GLYCERALDEHYDE - 0.6637143
Glyceraldehyde
ME198978
79014
-
0.664
90.0316
GLYCERALDEHYDE - 0.6767143
Glyceraldehyde
ME198979
79014
-
0.677
136.0368
GLYCERALDEHYDE (-H2O)
Glyceraldehyde
ME198976
79014
-
0.607
72.0214
GLYCERIC ACID - 0.76766676
Glyceric acid
ME198981
439194
-
0.768
106.0268
GLYCERIC ACID - 0.8618571
Glyceric acid
ME198982
439194
-
0.862
134.0216
GLYCERIC ACID (-H2O)
Glyceric acid
ME198980
439194
-
0.772
88.0153
HIPPURIC ACID
Hippuric acid
ME198983
464
-
4.823
179.0582
HISTAMINE
Histamine
ME198984
774
-
0.621
147.0554
HYPOXANTHINE
Hypoxanthine
ME198985
790
-
1.088
136.0382
ISOLEUCINE
Isoleucine
ME198986
6306
-
1.479
131.0944
ITACONIC ACID
Itaconic acid
ME198987
811
-
0.992
130.0269
L-HISTIDINE
Histidine
ME198988
6274
-
0.61
155.0693
LYSINE
Lysine
ME198989
5962
-
0.588
146.104
MALATE
Malic acid
ME198990
222656
-
0.778
134.0207
METHIONINE
Methionine
ME198991
6137
-
0.982
149.0504
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME198992
185
-
1.292
189.0637
N-ACETYLGALACTOSAMINE (M+Cl)
N-Acetylgalactosamine
ME198995
35717
-
0.702
257.0673
N-ACETYLGLYCINE - 0.90571433
N-Acetylglycine
ME198996
1097
-
0.906
244.0694
N-ACETYL-L-ALANINE
N-Acetylalanine
ME198993
88064
-
1.483
131.0567
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME198994
65065
-
0.962
175.0478
N-ALPHA-ACETYL-L-ASPARAGINE (2M-H)
N-Acetylasparagine
ME198997
99715
-
0.725
348.0813
O-ACETYLSERINE
O-Acetylserine
ME198998
99478
-
0.848
147.0524
PANTOTHENIC ACID
Pantothenic acid
ME198999
6613
-
3.294
219.1108
PANTOTHENIC ACID - 3.2937143
Pantothenic acid
ME199000
6613
-
3.294
219.1112
PHENYLACETIC ACID (M+HCOO)
Phenylacetic acid
ME199001
999
-
3.813
182.0578
PYRUVIC ACID
Pyruvic acid
ME199002
1060
-
0.867
88.0161
PYRUVIC ACID - 0.9791428
Pyruvic acid
ME199003
1060
-
0.979
134.0218
RAFFINOSE (M+Cl)
Raffinose
ME199004
439242
-
0.749
540.1436
RIBOFLAVIN (VITAMIN B2)
Riboflavin
ME199005
493570
-
7.61
376.1374
RIBOFLAVIN (VITAMIN B2) - 7.6341434
Riboflavin
ME199006
493570
-
7.634
412.1144
STACHYOSE (M+Cl)
Stachyose
ME199007
439531
-
0.804
702.1971
STEARIC ACID
Stearic acid
ME199008
5281
-
23.169
284.2717
SUCCINATE
Succinic acid
ME199009
1110
-
1.292
118.0269
SUCCINATE - 1.3074285
Succinic acid
ME199010
1110
-
1.307
100.0164
THYMIDINE
Thymidine
ME199011
5789
-
2.746
242.0899
TRYPTOPHAN
Tryptophan
ME199012
6305
-
3.602
204.0901
TYROSINE
Tyrosine
ME199013
6057
-
1.296
181.0739
URIC ACID
Uric acid
ME199014
1175
-
0.998
168.0283
URIDINE - 1.3322858
Uridine
ME199016
6029
-
1.332
244.0704
URIDINE - 1.3334286
Uridine
ME199017
6029
-
1.333
280.0466
URIDINE (M-H)
Uridine
ME199015
6029
-
1.332
244.07
URSODIOL-2 WATER
Ursodeoxycholic acid
ME199018
31401
-
21.704
392.292
VALINE
Valine
ME199019
6287
-
0.872
117.0789
XANTHOSINE
Xanthosine
ME199020
64959
-
2.271
284.0758
XANTHOSINE - 2.3645713
Xanthosine
ME199021
64959
-
2.365
284.0756
XYLOSE
Xylose
ME199022
135191
-
0.702
150.0522
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-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID
1-Aminocyclopropanecarboxylic acid
ME199023
535
-
0.989
101.0479
3-METHOXYTYROSINE
3-Methoxytyrosine
ME199024
9307
-
1.996
211.0838
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME199025
18189
-
1.822
145.0737
4-METHYL-2-OXOPENTANOATE (2M+H)
Ketoleucine
ME199026
70
-
4.868
260.1234
4-PYRIDOXIC ACID
4-Pyridoxic acid
ME199027
6723
-
1.88
183.0535
5-AMINOPENTANOIC ACID
5-Aminopentanoic acid
ME199028
138
-
0.725
117.0789
5-HYDROXYINDOLEACETIC ACID
5-Hydroxyindoleacetic acid
ME199029
1826
-
4.259
191.0587
5-METHYLCYTOSINE
5-Methylcytosine
ME199030
65040
-
0.766
272.1012
5-OXOPROLINE
Pyroglutamic acid
ME199031
7405
-
1.111
129.0427
5-OXOPROLINE + 1.1064999
Pyroglutamic acid
ME199032
7405
-
1.106
258.0836
5-OXOPROLINE + 1.193
Pyroglutamic acid
ME199033
7405
-
1.193
129.0421
5-OXOPROLINE + 1.1945
Pyroglutamic acid
ME199034
7405
-
1.195
151.0246
5-OXOPROLINE + 1.1962668
Pyroglutamic acid
ME199035
7405
-
1.196
129.0428
ASPARAGINE (2M+H)
Asparagine
ME199036
6267
-
0.667
264.1043
AZELAIC ACID (M+Na)
Azelaic acid
ME199037
2266
-
10.785
210.0873
CORTISONE (M+Na)
Cortisone
ME199038
222786
-
13.415
382.1758
CREATINE
Creatine
ME199039
586
-
0.694
131.0698
CYTIDINE + 0.84499997
Cytidine
ME199041
6175
-
0.845
243.0864
CYTIDINE + 0.9324
Cytidine
ME199042
6175
-
0.932
225.0759
CYTIDINE (2M+Na)
Cytidine
ME199040
6175
-
0.833
508.1533
DEOXYCYTIDINE
Deoxycytidine
ME199045
13711
-
0.944
227.0911
DEOXYCYTIDINE + 0.94733334
Deoxycytidine
ME199046
13711
-
0.947
476.1628
DEOXYCYTIDINE + 0.95839995
Deoxycytidine
ME199047
13711
-
0.958
249.0723
DIOCTYL PHTHALATE + 23.077934
Dioctyl phthalate
ME199049
8346
-
23.078
412.2591
DIOCTYL PHTHALATE + 23.0814
Dioctyl phthalate
ME199050
8346
-
23.081
390.2775
DIOCTYL PHTHALATE (2M+Na)
Dioctyl phthalate
ME199048
8346
-
23.078
802.5365
DL-3-AMINO-ISOBUTANOIC ACID
3-Aminoisobutanoic acid
ME199051
64956
-
1.821
85.0529
DL-PIPECOLIC ACID
Pipecolic acid
ME199052
849
-
0.954
129.0799
DL-PIPECOLIC ACID + 0.94628567
Pipecolic acid
ME199053
849
-
0.946
129.0791
D-PSICOSE
Psicose
ME199043
90008
-
0.698
202.0451
D-SORBITOL (M+Na)
Sorbitol
ME199044
5780
-
0.864
204.0588
FOLIC ACID
Folic acid
ME199054
6037
-
5.83
441.1389
GLUCOSE + 0.677
Glucose
ME199056
5793
-
0.677
382.1094
GLUCOSE (2M+Na)
Glucose
ME199055
5793
-
0.696
382.1089
GUANINE
Guanine
ME199057
764
-
0.905
151.0493
HIPPURIC ACID
Hippuric acid
ME199058
464
-
4.818
179.0583
HYPOXANTHINE
Hypoxanthine
ME199059
790
-
1.087
136.0384
ISOLEUCINE
Isoleucine
ME199060
6306
-
1.575
131.0944
KYNURENINE
Kynurenine
ME199061
161166
-
2.197
208.0844
L-CARNITINE
Carnitine
ME199062
10917
-
0.715
161.1047
L-CARNITINE + 0.7405333
Carnitine
ME199063
10917
-
0.741
143.0935
METHIONINE
Methionine
ME199064
6137
-
0.984
149.0508
METHYL JASMONATE (M+Na)
Methyl jasmonate
ME199065
5281929
-
16.1
246.1224
N-ACETYLGALACTOSAMINE (M+Na)
N-Acetylgalactosamine
ME199066
35717
-
0.711
243.0724
N-CYCLOHEXYLFORMAMIDE
N-Cyclohexylformamide
ME199067
13017
-
7.965
127.0985
NICOTINAMIDE
Niacinamide
ME199068
936
-
1.133
122.0484
O-ACETYLCARNITINE
CAR 2:0
ME199069
18230
-
0.917
203.1157
PANTOTHENIC ACID + 3.2942002
Pantothenic acid
ME199071
6613
-
3.294
219.1106
PANTOTHENIC ACID + 3.2942002 :5
Pantothenic acid
ME199072
6613
-
3.294
219.1112
PANTOTHENIC ACID (-H2O)
Pantothenic acid
ME199070
6613
-
3.296
201.0999
PIMELIC ACID (2M+H)
Pimelic acid
ME199073
385
-
5.83
322.0801
PROLINE
Proline
ME199074
145742
-
0.697
115.0633
RIBOFLAVIN (VITAMIN B2)
Riboflavin
ME199075
493570
-
7.612
376.1381
RIBOFLAVIN (VITAMIN B2) + 7.631134
Riboflavin
ME199076
493570
-
7.631
398.1203
SALICYLAMIDE
Salicylamide
ME199077
5147
-
5.381
137.0477
SORBITOL (M+Na)
Sorbitol
ME199078
5780
-
0.723
204.0595
THYMIDINE (M+Na)
Thymidine
ME199079
5789
-
2.751
264.073
TRYPTOPHAN
Tryptophan
ME199080
6305
-
3.605
204.0897
TYROSINE
Tyrosine
ME199081
6057
-
1.295
181.0736
TYROSINE + 1.2937
Tyrosine
ME199082
6057
-
1.294
203.0557
URIDINE + 1.3391539
Uridine
ME199084
6029
-
1.339
282.0245
URIDINE (M+Na)
Uridine
ME199083
6029
-
1.338
266.0516
UROCANIC ACID
Urocanic acid
ME199085
736715
-
0.923
138.0428
VALINE
Valine
ME199086
6287
-
0.877
117.079
XANTHOSINE
Xanthosine
ME199087
64959
-
2.271
284.0757
XANTHOSINE + 2.3653998
Xanthosine
ME199088
64959
-
2.365
284.0756
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