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Return to study ST000955 main page
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-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME236670
535
-
0.74
102.0553
Choline
Choline
ME236687
305
-
0.84
104.1073
L-SERINE
Serine
ME236728
5951
-
0.69
106.0502
Isocytosine
2-Amino-4-hydroxypyrimidine
ME236707
66950
-
1.52
112.0508
L-PROLINE
Proline
ME236727
145742
-
0.83
116.0708
GUANIDINOACETATE_R1
Guanidoacetic acid
ME236702
763
-
0.76
118.0615
GUANIDINOACETATE_R2
Guanidoacetic acid
ME236703
763
-
0.69
118.0615
THREONINE/HOMOSERINE
Threonine/Homoserine
ME236757
-
-
0.72
120.0657
Phenylalanine-HCOOH
-
ME236749
-
-
6.24
120.0809
L-CYSTEINE
Cysteine
ME236713
5862
-
0.74
122.0269
TAURINE
Taurine
ME236756
1123
-
0.70
126.0220
Pyroglutamic Acid
Pyroglutamic acid
ME236752
7405
-
1.75
130.0499
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME236736
122356
-
1.09
131.1179
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME236673
137
-
0.72
132.0655
L-Isoleucine
Isoleucine
ME236719
6306
-
2.18
132.1019
L-LEUCINE
Leucine
ME236721
857
-
2.50
132.1019
N-BOC-L-tert-Leucine
-
ME236739
2734668
-
10.85
132.1019
L-ASPARAGINE
Asparagine
ME236711
6267
-
0.69
133.0608
ORNITHINE
Ornithine
ME236744
6262
-
0.62
133.0971
ASPARTATE
Aspartic acid
ME236679
5960
-
0.70
134.0448
N-BOC-L-Aspartic Acid
Aspartic acid
ME236738
99718
-
-
134.0448
Creatine-D3_R1
Creatine
ME236690
-
-
0.88
135.0955
Allopurinol
Allopurinol
ME236678
2094
-
6.06
137.0457
L-Leucine 13C6
Leucine
ME236722
-
-
2.50
138.1219
L-ALLOTHREONINE
Allothreonine
ME236709
99289
-
0.72
142.0475
L-Leucine-D10
Leucine
ME236723
16213587
-
2.46
142.1645
L-GLUTAMINE
Glutamine
ME236717
5961
-
0.71
147.0762
L-LYSINE
Lysine
ME236724
5962
-
0.62
147.1126
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME236743
22880
-
0.74
148.0603
L-METHIONINE
Methionine
ME236725
6137
-
1.36
150.0582
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME236672
1549098
-
0.71
154.0171
L-HISTIDINE
Histidine
ME236718
6274
-
0.68
156.0767
Creatine-D3_R2
Creatine
ME236691
-
-
0.88
157.0774
Methionine Sulfoxide
Methionine sulfoxide
ME236730
847
-
0.76
166.0531
Phenylalanine
Phenylalanine
ME236748
6140
-
6.24
166.0858
BOC-D-Phenylalanine_R1
-
ME236680
-
-
11.40
166.0861
L-CYSTEIC ACID
Cysteic acid
ME236712
72886
-
0.70
170.0113
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME236732
64969
-
0.69
170.0919
L-Phenylalanine 13C6
Phenylalanine
ME236726
-
-
6.24
172.1062
D-Ribose
Ribose
ME236695
10975657
-
0.77
173.0418
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME236734
70912
-
7.54
174.1123
C5-SUGAR ALCOHOL
Dihydroxyquinoline
ME236684
-
-
0.69
175.0575
L-ARGININE
Arginine
ME236710
6322
-
0.68
175.1188
CITRULLINE
Citrulline
ME236688
9750
-
0.76
176.1028
GLUCOSAMINE/MANNOSAMINE
-
ME236698
-
-
0.73
180.0865
2-Hydroxyphenylalanine
2-Hydroxy-L-Phenylalanine
ME236671
6950574
-
3.30
182.0808
BOC-L-Tyrosine_R1
Tyrosine
ME236682
-
-
-
182.0810
PHOSPHOCHOLINE
Choline phosphate
ME236750
1014
-
0.71
184.0731
Tryptophan-NH3
Tryptophan
ME236761
-
-
7.63
188.0703
L-Tyrosine 13C6
Tyrosine
ME236729
-
-
3.30
188.1010
N-ALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME236737
92907
-
1.23
189.1229
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME236742
440120
-
0.69
189.1596
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME236760
-
-
7.63
191.0893
Dimethyl pthalate (DMP)
-
ME236694
-
-
11.02
195.0650
Caffeine-D3
Caffeine
ME236685
13001298
-
7.87
198.1062
ALDO/KETO-HEXOSE
Hexose
ME236677
-
-
0.72
203.0523
SPERMINE
Spermine
ME236755
1103
-
0.62
203.2227
6C-SUGAR ALCOHOL
-
ME236675
-
-
0.71
205.0682
N-BOC-L-Tryptophan_R1
Tryptophan
ME236740
-
-
-
205.0969
Tryptophan
Tryptophan
ME236758
6305
-
7.63
205.0969
Tryptophan-2,3,3-D3
Tryptophan
ME236759
-
-
7.63
208.1158
Formyl-5-hydroxykynurenamine
Formyl-5-hydroxykynurenamine
ME236696
440743
-
11.11
209.0914
L-KYNURENINE
Kynurenine
ME236720
161166
-
6.47
209.0914
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME236731
94214
-
1.01
217.0680
Pantothenic Acid
Pantothenic acid
ME236746
6613
-
6.61
220.1175
CARNOSINE
Carnosine
ME236686
439224
-
0.69
227.1134
Leu Pro_R1
Leu-Pro
ME236715
-
-
7.30
229.1542
Leu Pro_R2
Leu-Pro
ME236716
-
-
7.13
229.1542
Ribulose 5-Phosphate
Ribulose 5-phosphate
ME236753
439184
C00199
0.71
231.0275
Formylkynurenine
N-Formyl-L-kynurenine
ME236697
910
-
10.65
237.0865
L-Cystine
Cystine
ME236714
67678
-
0.68
241.0308
N-ACETYL-HEXOSAMINE
N-Acetylhexosamine
ME236733
-
-
0.81
244.0786
5-Hydroxy-N-formylkynurenine
5-Hydroxy-N-formylkynurenine
ME236674
440744
-
11.11
253.0813
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME236700
71920
-
0.74
258.1096
D-GLUCOSAMINE 6-PHOSPHATE
Glucosamine 6-phosphate
ME236693
440997
-
0.74
260.0541
HEXOSE-6-PHOSPHATE
Hexose 6-phosphate
ME236704
-
-
0.70
261.0367
PEG n5
Pentaethylene glycol
ME236747
62551
-
7.05
261.1303
GLUCOSE/FRUCTOSE-PHOSPHATE
-
ME236699
-
-
0.68
283.0185
BOC-D-Phenylalanine_R2
-
ME236681
-
-
11.40
288.1199
BOC-L-Tyrosine_R2
Tyrosine
ME236683
-
-
-
304.1148
CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE
2',3' cyclic CMP
ME236692
53481030
-
1.04
306.0480
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME236735
439197
-
0.79
310.1125
CMP
CMP
ME236689
6131
-
1.00
324.0584
N-BOC-L-Tryptophan_R2
Tryptophan
ME236741
-
-
-
327.1307
Lactose
Lactose
ME236708
84571
-
0.74
343.1230
HEXOSE-DISACCHARIDE_R1
Hexose disaccharide
ME236705
-
-
0.85
365.1047
HEXOSE-DISACCHARIDE_R2
Hexose disaccharide
ME236706
-
-
0.77
365.1047
S-(5'-ADENOSYL)-L-METHIONINE
S-Adenosylmethionine
ME236754
34755
-
0.80
399.1438
GLYCINE
Glycine
ME236701
750
-
0.69
76.0399
PUTRESCINE
Putrescine
ME236751
1045
-
0.59
89.1079
ALANINE/SARCOSINE
Alanine/Sarcosine
ME236676
-
-
0.72
90.0555
Orthophosphate
Phosphoric acid
ME236745
1061
-
0.72
98.9846
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-SERINE
Serine
ME236794
5951
-
0.67
104.0351
PROPIONATE
Propionic acid
ME236808
1032
-
0.73
109.0075
SUCCINATE
Succinic acid
ME236813
1110
-
2.24
117.0193
THREONINE/HOMOSERINE
Threonine/Homoserine
ME236817
-
-
0.72
118.0510
Succinic-2,2,3,3-D4 Acid
-
ME236814
-
-
2.21
121.0443
Sulfoacetaldehyde
Sulfoacetaldehyde
ME236815
160226
-
0.68
122.9757
TAURINE
Taurine
ME236816
1123
-
0.68
124.0071
4-oxoproline
4-Oxo-proline
ME236765
107541
-
1.76
128.0353
ASPARAGINE
Asparagine
ME236770
6267
-
0.68
131.0462
6-Hydroxycaproic acid
6-Hydroxycaproic acid
ME236766
14490
-
7.78
131.0714
ASPARTATE
Aspartic acid
ME236771
83887
-
0.68
132.0303
MALATE
Malic acid
ME236796
92824
-
1.05
133.0142
Creatine-D3
Creatine
ME236778
-
-
0.88
133.0810
ADENINE
Adenine
ME236767
190
-
1.46
134.0472
ANTHRANILATE
2-Aminobenzoic acid
ME236769
227
-
7.94
136.0398
UROCANATE
Urocanic acid
ME236819
736715
-
1.91
137.0356
Salicylic Acid-D4
Salicylic acid
ME236810
46782907
-
9.94
141.0495
L-GLUTAMINE
Glutamine
ME236791
5961
-
0.72
145.0619
L-GLUTAMIC ACID
Glutamic acid
ME236790
33032
-
0.75
146.0459
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME236762
43
-
1.51
147.0299
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME236764
1549098
-
0.72
152.0023
L-HISTIDINE
Histidine
ME236792
6274
-
0.67
154.0622
N-BOC-L-tert-Leucine_R1
-
ME236803
-
-
10.85
156.0666
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME236802
-
-
-
158.0094
3-methyladipic acid
3-Methyladipic acid
ME236763
12292
-
7.83
159.0665
PYRIDOXAL
Pyridoxal
ME236809
1050
-
1.84
166.0507
L-CYSTEIC ACID
Cysteic acid
ME236789
72886
-
0.70
167.9972
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME236782
668
-
0.70
168.9901
L-Phenylalanine-13C6
Phenylalanine
ME236793
71309396
-
6.25
170.0918
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME236785
-
-
0.70
171.0062
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME236799
70912
-
7.54
172.0980
L-ARGININE
Arginine
ME236788
6322
-
0.69
173.1043
CITRULLINE
Citrulline
ME236776
9750
-
0.76
174.0867
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME236775
-
-
0.74
179.0561
L-TYROSINE
Tyrosine
ME236795
6057
-
3.32
180.0665
Mannitol
Mannitol
ME236797
6251
-
0.72
181.0719
Xylenesulfonate
-
ME236820
11868
-
8.05
185.0277
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME236780
-
-
0.74
193.0328
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME236781
-
-
0.72
193.0362
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME236784
-
-
0.75
195.0523
LACTATE-dimer
-
ME236787
-
-
1.20
201.0380
Tryptophan
Tryptophan
ME236818
6305
-
7.64
203.0827
BOC-L-Tyrosine_R1
Tyrosine
ME236772
-
-
-
206.0458
Pantothenic Acid
Pantothenic acid
ME236807
6613
-
6.61
218.1023
N-ACETYL-HEXOSAMINE
N-Acetylhexosamine
ME236798
-
-
0.81
220.0826
D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE
Ribose
ME236783
-
-
0.72
229.0118
N-BOC-L-Tryptophan_R2
Tryptophan
ME236806
-
-
-
229.0617
N-BOC-L-tert-Leucine_R2
-
ME236804
-
-
10.85
230.1396
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME236801
-
-
-
232.0826
BOC-L-Tyrosine_R2
Tyrosine
ME236773
-
-
-
280.1189
N-BOC-L-Tryptophan_R1
Tryptophan
ME236805
-
-
-
303.1349
CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE
2',3' cyclic CMP
ME236779
53481030
-
1.05
304.0338
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME236800
439197
-
0.79
308.0987
CMP
CMP
ME236777
6131
-
1.01
322.0444
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...
-
ME236774
-
-
0.86
341.1086
ADP
ADP
ME236768
6022
-
1.06
426.0220
STACHYOSE
Stachyose
ME236812
439531
-
0.89
665.2140
GLYCOLATE
Glycolic acid
ME236786
757
-
0.86
75.0082
SARCOSINE/BETA-ALANINE
-
ME236811
-
-
0.68
88.0400
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