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Return to study ST002377 main page
Analysis: CE POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Cyclohexylamine
Cyclohexylamine
ME561855
-
C00571
-
100.1121
Spermine
Spermine
ME561933
-
C00750
-
102.1151
Cadaverine
Cadaverine
ME561848
-
C01672
-
103.1230
3-Aminoisobutyrate
3-Aminoisobutanoic acid
ME561825
-
C03284
-
104.0706
D-2-aminobutyrate
-
ME561824
-
C02261
-
104.0706
GABA
gamma-Aminobutyric acid
ME561864
-
C00334
-
104.0706
N-Methylalanine
N-Methylalanine
ME561904
-
C02721
-
104.0706
N,N-Dimethylglycine
Dimethylglycine
ME561905
-
C01026
-
104.0706
Choline
Choline
ME561851
-
C00114
-
104.1075
Ser
Serine
ME561930
-
C00065,C00716,C00740
-
106.0499
Hypotaurine
Hypotaurine
ME561885
-
C00519
-
110.0270
Cytosine
Cytosine
ME561861
-
C00380
-
112.0505
Histamine
Histamine
ME561882
-
C00388
-
112.0869
Uracil
Uracil
ME561946
-
C00106
-
113.0346
Carnosine
Carnosine
ME561850
-
C00386
-
114.0606
Creatinine
Creatinine
ME561854
-
C00791
-
114.0662
Dihydrouracil
Dihydrouracil
ME561862
-
C00429
-
115.0502
Pro
Proline
ME561915
-
C00148,C00763,C16435
-
116.0706
Guanidinoacetate
Guanidoacetic acid
ME561877
-
C00581
-
118.0611
Betaine
Betaine
ME561846
-
C00719
-
118.0863
Val
Valine
ME561949
-
C00183,C06417,C16436
-
118.0863
2,4-Diaminobutyrate
2,4-Diaminobutyric acid
ME561823
-
C03283
-
119.0815
Alpha-Methylserine
Alpha-Methylserine
ME561841
-
C02115
-
120.0655
Homoserine
Homoserine
ME561883
-
C00263
-
120.0655
Thr
Threonine
ME561938
-
C00188,C00820
-
120.0655
Betaine aldehyde (+H2O)
Betaine aldehyde
ME561847
-
C00576
-
120.102
Purine
Purine
ME561917
-
C15587
-
121.0509
Cys
Cysteine
ME561856
-
C00097,C00736,C00793
-
122.0270
Nicotinamide
Niacinamide
ME561908
-
C00153
-
123.0553
Taurine
Taurine
ME561934
-
C00245
-
126.0219
1-Methylhistamine
1-Methylhistamine
ME561821
-
C05127
-
126.1026
Imidazole-4-acetate
Imidazoleacetic acid
ME561888
-
C02835
-
127.0502
Thymine
Thymine
ME561940
-
C00178
-
127.0502
Pipecolate
Pipecolic acid
ME561914
-
C00408
-
130.0863
N-Acetylputrescine
N-Acetylputrescine
ME561900
-
C02714
-
131.1179
5-Aminolevulinate
5-Amino-levulinic acid
ME561828
-
C00431
-
132.0655
Hydroxyproline
Hydroxyproline
ME561884
-
C01157
-
132.0655
Creatine
Creatine
ME561853
-
C00300
-
132.0768
Ile
Isoleucine
ME561887
-
C00407,C06418,C16434
-
132.1019
Leu
Leucine
ME561892
-
C00123,C01570,C16439
-
132.1019
Asn
Asparagine
ME561843
-
C00152,C01905,C16438
-
133.0608
Gly-Gly
Gly-Gly
ME561874
-
C02037
-
133.0608
Ornithine
Ornithine
ME561911
-
C00077,C00515,C01602
-
133.0972
Asp
Aspartic acid
ME561844
-
C00049,C00402,C16433
-
134.0448
Adenine
Adenine
ME561833
-
C00147
-
136.0618
Hypoxanthine
Hypoxanthine
ME561886
-
C00262
-
137.0458
1-Methylnicotinamide
1-Methyl nicotinamide
ME561822
-
C02918
-
137.0715
Trigonelline
Trigonelline
ME561941
-
C01004
-
138.0550
Tyramine
Tyramine
ME561945
-
C00483
-
138.0913
Ethanolamine phosphate
Phosphoethanolamine
ME561863
-
C00346
-
142.0264
gamma-Guanidinobutyrate
4-Guanidinobutanoic acid
ME561867
-
C01035
-
146.0924
gamma-Butyrobetaine
3-Dehydroxycarnitine
ME561865
-
C01181
-
146.1181
Spermidine
Spermidine
ME561932
-
C00315
-
146.1652
Gln
Glutamine
ME561868
-
C00064,C00303,C00819
-
147.0764
Lys
Lysine
ME561893
-
C00047,C00739,C16440
-
147.1128
Glu
Glutamic acid
ME561869
-
C00025,C00217,C00302
-
148.0604
Met
Methionine
ME561894
-
C00073,C00855,C01733
-
150.0583
Guanine
Guanine
ME561879
-
C00242
-
152.0567
Xanthine
Xanthine
ME561950
-
C00385
-
153.0407
His
Histidine
ME561881
-
C00135,C00768,C06419
-
156.0768
Allantoin
Allantoin
ME561838
-
C01551
-
159.0513
N-Acetylvaline
N-Acetylvaline
ME561901
-
No ID
-
160.0968
Ala-Ala
Ala-Ala
ME561837
-
C00993
-
161.0921
alpha-Aminoadipate
Aminoadipic acid
ME561839
-
C00956
-
162.0761
Carnitine
Carnitine
ME561849
-
C00318,C00487,C15025
-
162.1130
Pterin
Pterin
ME561916
-
C00715
-
164.0567
S-Methylmethionine
S-Methylmethionine
ME561924
-
C03172
-
164.0745
Methionine sulfoxide
Methionine sulfoxide
ME561895
-
C02989
-
166.0532
Phe
Phenylalanine
ME561912
-
C00079,C02057,C02265
-
166.0863
Taurocyamine
Taurocyamine
ME561935
-
C01959
-
168.044
Pyridoxal
Pyridoxal
ME561919
-
C00250
-
168.0655
Pyridoxamine
Pyridoxamine
ME561920
-
C00534
-
169.0972
3-Methylhistidine
3-Methylhistidine
ME561826
-
C01152
-
170.0924
N-Acetylornithine
N-Acetylornithine
ME561899
-
C00437
-
175.1077
N-gamma-Ethylglutamine
N(5)-Ethyl-glutamine
ME561903
-
No ID
-
175.1077
Arg
Arginine
ME561842
-
C00062,C00792
-
175.1190
Guanidinosuccinate
Guanidinosuccinic acid
ME561878
-
C03139
-
176.0666
Citrulline
Citrulline
ME561852
-
C00327
-
176.1030
Serotonin
Serotonin
ME561931
-
C00780
-
177.1022
Tyr
Tyrosine
ME561944
-
C00082,C01536,C06420
-
182.0812
Phosphorylcholine
Choline phosphate
ME561913
-
C00588
-
184.0739
N8-Acetylspermidine
N8-Acetylspermidine
ME561907
-
C01029
-
188.1757
Gly-Leu
Gly-Leu
ME561875
-
No ID
-
189.1234
N-epsilon-Acetyllysine
N6-Acetyllysine
ME561902
-
C12989
-
189.1234
N6,N6,N6-Trimethyllysine
N-6-Trimethyllysine
ME561906
-
C03793
-
189.1598
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME561829
-
C05635
-
192.0655
SAH
S-Adenosylhomocysteine
ME561925
-
C00021
-
193.0681
N-Acetylhistidine
N-Acetylhistidine
ME561898
-
C02997
-
198.0873
SAM+
S-Adenosylmethionine
ME561926
-
C00019
-
200.0762
ADMA
Dimethylarginine
ME561835
-
C03626
-
203.149
SDMA
Symmetric dimethylarginine
ME561929
-
No ID
-
203.150
o-Acetylcarnitine
CAR 2:0
ME561909
-
C02571
-
204.1236
Trp
Tryptophan
ME561943
-
C00078,C00525,C00806
-
205.0972
alpha-Lipoamide
Lipoamide
ME561840
-
No ID
-
206.0668
Kynurenine
Kynurenine
ME561891
-
C00328,C01718
-
209.0921
Cysteine-glutathione disulphide -Divalent
-
ME561858
-
C05526
-
214.0512
N-Acetylglucosylamine
N-Acetyl-beta-glucosaminylamine
ME561897
-
C01239
-
221.1132
N-Acetylglucosamine
N-Acetylglucosamine
ME561896
-
C01132,C00645
-
222.0972
Cystathionine
Cystathionine
ME561857
-
C00542,C02291
-
223.0747
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME561832
-
C02953
-
240.1091
Cystine
Cystine
ME561859
-
-
-
241.0311
Thymidine
Thymidine
ME561939
-
C00214
-
243.0975
Cytidine
Cytidine
ME561860
-
C00475
-
244.0928
Uridine
Uridine
ME561948
-
C00299
-
245.0768
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME561921
-
C00647
-
249.0635
gamma-Glu-cys
gamma-Glutamylcysteine
ME561866
-
C00669
-
251.0696
Glycerophosphorylcholine
sn-Glycero-3-phosphocholine
ME561876
-
C00670
-
258.1107
Thiamine
Thiamine
ME561936
-
C00378
-
265.1123
Adenosine
Adenosine
ME561834
-
C00212
-
268.1040
Inosine
Inosine
ME561889
-
C00294
-
269.0880
Glu-Glu
Glu-Glu
ME561870
-
C01425
-
277.1030
Saccharopine
Saccharopine
ME561927
-
C00449
-
277.139
1-Methyladenosine
1-Methyladenosine
ME561820
-
C02494
-
282.1197
Guanosine
Guanosine
ME561880
-
C00387
-
284.0989
Xanthosine
Xanthosine
ME561951
-
C01762
-
285.0830
Ophthalmate
Ophthalmic acid
ME561910
-
No ID
-
290.1347
5-Methylthioadenosine
5'-Methylthioadenosine
ME561831
-
C00170
-
298.0968
Glutathione(ox)
Oxidized glutathione
ME561871
-
C00127
-
307.0833
Glutathione(red)
Glutathione
ME561872
-
C00051
-
308.0911
5-Aminoimidazole-4-carboxamide ribotide
AICAR
ME561827
-
C04677
-
339.0700
Thiamine monophosphate
Thiamine monophosphate
ME561937
-
C01081
-
345.0786
Riboflavin
Riboflavin
ME561922
-
C00255
-
377.1456
S-Lactoylglutathione
S-Lactoylglutathione
ME561923
-
C03451
-
380.1122
5-Methyltetrahydrofolate
5-Methyl-THF
ME561830
-
C00440
-
460.1939
Urea
Urea
ME561947
-
C00086
-
61.0396
Isobutylamine
-
ME561890
-
C02787
-
74.0964
Gly
Glycine
ME561873
-
C00037
-
76.0393
Trimethylamine N-oxide
Trimethylamine N-oxide
ME561942
-
C01104
-
76.0757
Putrescine(1,4-Butanediamine)
Putrescine
ME561918
-
C00134
-
89.1073
Ala
Alanine
ME561836
-
C00041,C00133,C01401
-
90.0550
beta-Ala
beta-Alanine
ME561845
-
C00099
-
90.0550
Sarcosine
Sarcosine
ME561928
-
C00213
-
90.0550
Analysis: CE NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Oxobutyrate
3-Methyl pyruvic acid
ME561954
-
C00109
-
101.0244
Malonate
Malonic acid
ME562007
-
C00383
-
103.0037
2-Hydroxybutyrate
2-Hydroxybutyric acid
ME561952
-
C05984
-
103.0401
3-Hydroxybutyrate
3-Hydroxybutyric acid
ME561958
-
C01089,C03197
-
103.0401
Fumarate
Fumaric acid
ME561991
-
C00122
-
115.0037
4-Oxopentanoate
Levulinic acid
ME561965
-
No ID
-
115.0401
Succinate
Succinic acid
ME562030
-
C00042
-
117.0193
Isethionate
2-Hydroxyethanesulfonate
ME562003
-
C05123
-
124.9914
5-Oxoproline
Pyroglutamic acid
ME561966
-
C01879
-
128.0353
4-Methyl-2-oxopentanoate
Ketoleucine
ME561964
-
C00233
-
129.0557
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME562009
-
No ID
-
130.0510
Glutarate
Glutaric acid
ME561996
-
C00489
-
131.0350
3-Ureidopropionate
Ureidopropionic acid
ME561961
-
C02642
-
131.0462
Malate
Malic acid
ME562006
-
C00149,C00497,C00711
-
133.0142
Ethanolamine phosphate
Phosphoethanolamine
ME561987
-
C00346
-
140.0118
Adipate
Adipic acid
ME561970
-
C06104
-
145.0506
2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME561953
-
C02630,C01087,C03196
-
147.0299
Tartrate
Tartaric acid
ME562031
-
C00898
-
149.0092
Cysteine sulfinate
3-Sulfino-alanine
ME561985
-
No ID
-
152.0023
Orotate
Orotic acid
ME562020
-
C00295
-
155.0098
Pimelate
Pimelic acid
ME562023
-
C02656
-
159.0663
3-Hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME561957
-
C03761
-
161.0455
3-(2-Hydroxyphenyl)propionate
3-(2-Hydroxyphenyl)propanoic acid
ME561955
-
C01198
-
165.0557
3-Phenyllactate
Phenyllactic acid
ME561960
-
No ID
-
165.0557
PEP(Phosphoenolpyruvate)
-
ME562022
-
C00074
-
166.9751
Urate
Uric acid
ME562042
-
C00366
-
167.0211
DHAP
Dihydroxyacetone phosphate
ME561986
-
C00111
-
168.9908
Glycerophosphate
sn-Glycero-3-phosphate
ME561997
-
C00093
-
171.0064
N-Acetylleucine
N-Acetylleucine
ME562014
-
C02710
-
172.0979
cis-Aconitate
cis-Aconitic acid
ME561982
-
C00417
-
173.0092
trans-Aconitate
trans-Aconitic acid
ME562035
-
C02341
-
173.0092
N-Acetylaspartate
N-Acetylaspartic acid
ME562010
-
No ID
-
174.0408
Carbamoylaspartate
Carbamoylaspartate
ME561979
-
No ID
-
175.0360
Hippurate
Hippuric acid
ME562000
-
C01586
-
178.0510
O-Phosphoserine
DL-O-Phosphoserine
ME562019
-
C01005
-
184.0017
3-Phosphoglycerate
3-Phosphoglyceric acid
ME561962
-
C00197
-
184.9857
Azelate
Azelaic acid
ME561976
-
No ID
-
187.0976
N-Acetylglutamate
N-Acetylglutamic acid
ME562013
-
C00624
-
188.0564
N-Acetylmethionine
N-Acetylmethionine
ME562015
-
C02712
-
190.0543
Citrate
Citric acid
ME561983
-
C00158
-
191.0197
Isocitrate
Isocitric acid
ME562004
-
C00311
-
191.0197
Glucuronate
Glucuronic acid
ME561995
-
C00191
-
193.0354
trans-4-Hydroxy-3-methoxycinnamate
trans-Ferulic acid
ME562034
-
No ID
-
193.0506
4-Hydroxy-3-methoxymandelate
Vanillylmandelic acid
ME561963
-
No ID
-
197.0455
Sebacate
Sebacic acid
ME562029
-
No ID
-
201.1132
Mucate
Galactaric acid
ME562008
-
No ID
-
209.0303
3-Indoxyl sulfate
Indoxyl sulfate
ME561959
-
No ID
-
212.0023
Pantothenate
Pantothenic acid
ME562021
-
C00864
-
218.1034
Ru5P(D-Ribulose 5-phosphate)
-
ME562027
-
C00199
-
229.0119
Biotin
Biotin
ME561977
-
C00120
-
243.0809
F6P
Fructose 6-phosphate
ME561989
-
C05345,C00085
-
259.0224
G1P (D-Glucose 1-phosphate)
-
ME561992
-
C00103
-
259.0224
G6P
Glucose 6-phosphate
ME561993
-
C00092
-
259.0224
6-Phosphogluconate
6-Phosphogluconic acid
ME561967
-
C00345
-
275.0174
S7P(Sedoheptulose 7-phosphate)
-
ME562028
-
C05382
-
289.0330
N-Acetylglucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME562011
-
C04256
-
300.0490
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME562012
-
C00357
-
300.0490
N-Acetylneuraminate
N-Acetylneuraminic acid
ME562016
-
C00270
-
308.0987
Ribulose 1,5-diphosphate
Ribulose 1,5-bisphosphate
ME562026
-
C01182
-
308.9782
CMP
CMP
ME561984
-
C00055
-
322.0446
UMP
UMP
ME562041
-
C00105
-
323.0286
F1,6P
Fructose 1,6-bisphosphate
ME561988
-
C00354
-
338.9888
3'-AMP
3'-AMP
ME561956
-
C01367
-
346.0558
AMP
AMP
ME561974
-
C00020
-
346.0558
IMP
IMP
ME562002
-
C00130
-
347.0398
GMP
GMP
ME561999
-
C00144
-
362.0507
XMP(Xanthosine 5'-phosphate)
-
ME562043
-
C00655
-
363.0347
CDP
CDP
ME561980
-
C00112
-
402.0109
UDP
UDP
ME562037
-
C00015
-
402.9949
Trehalose 6-phosphate
Trehalose 6-phosphate
ME562036
-
C00689
-
421.0753
Adenosine 3',5'-diphosphate
Adenosine 3',5'-diphosphate
ME561968
-
C00054
-
426.0221
ADP
ADP
ME561971
-
C00008
-
426.0221
IDP
IDP
ME562001
-
C00104
-
427.0062
Adenylosuccinate
Adenylsuccinic acid
ME561969
-
C03794
-
462.0668
ATP
ATP
ME561975
-
C00002
-
505.9885
Taurocholate
Taurocholic acid
ME562032
-
C05122
-
514.2844
CDP-choline
CDP-choline
ME561981
-
C00307
-
547.1212
ADP-ribose
ADP-ribose
ME561973
-
C00301
-
558.0644
UDP-glucose
UDP-glucose
ME562038
-
C00029,C00052
-
565.0478
UDP-glucuronate
UDP-glucuronic acid
ME562039
-
C00167
-
579.0270
ADP-glucose
ADP-glucose
ME561972
-
C00498,C00325
-
588.0750
GDP-mannose
GDP-mannose
ME561994
-
C00394
-
604.0699
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME562040
-
C00203,C00043
-
606.0743
NAD+
NAD
ME562017
-
C00003
-
662.1019
Propionate
Propionic acid
ME562024
-
C00163
-
73.0295
NADP+
NADP
ME562018
-
C00006
-
742.0682
Glycolate
Glycolic acid
ME561998
-
C00160
-
75.0088
FAD
FAD
ME561990
-
C00016
-
784.1499
Pyruvate
Pyruvic acid
ME562025
-
C00022
-
87.0088
Butanoate
Butyric acid
ME561978
-
C00246
-
87.0452
Lactate
Lactic acid
ME562005
-
C00186,C00256,C01432
-
89.0244
Threonate
Threonic acid
ME562033
-
C01620
-
-
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