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Return to study ST000556 main page
Analysis: UHPLC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-AMINOBUTANOATE (GABA)
gamma-Aminobutyric acid
ME166753
119
-
0.79
104.0705
Choline
Choline
ME166771
305
-
0.82
104.1071
Tetrahydrothiophene-1-oxide
Tetrahydrothiophene-1-oxide
ME166822
1128
-
2.23
105.0368
Isocytosine
2-Amino-4-hydroxypyrimidine
ME166788
66950
-
1.56
112.0504
URACIL
Uracil
ME166827
1174
-
1.35
113.0344
GLYCEROL
Glycerol
ME166784
753
-
0.77
115.0385
L-PROLINE
Proline
ME166800
145742
-
0.83
116.0705
BETAINE_R1
Betaine
ME166763
247
-
0.80
118.0860
BETAINE_R2
Betaine
ME166764
247
-
0.93
118.0860
THREONINE/HOMOSERINE
Threonine/Homoserine
ME166823
-
-
0.72
120.0653
PHENETHYLAMINE
Phenylethylamine
ME166817
1001
-
6.89
122.0966
NICOTINAMIDE
Niacinamide
ME166814
936
-
1.57
123.0550
5-METHYLCYTOSINE HYDROCLORIDE
5-Methylcytosine
ME166757
65040
-
1.09
126.0663
5-Hydroxymethyl-2-furaldehyde
5-Hydroxymethyl-2-furancarboxaldehyde
ME166756
237332
-
0.84
127.0388
Sulcatol
(R)-Sulcatol
ME166821
20745
-
8.99
129.1270
5-OXO-L-PROLINE
Pyroglutamic acid
ME166758
7405
-
1.75
130.0498
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME166755
137
-
0.73
132.0655
CREATINE
Creatine
ME166773
586
-
0.89
132.0764
N-BOC-L-tert-Leucine
-
ME166809
2734668
-
10.88
132.1015
LEUCINE_R1
Leucine
ME166793
857
-
2.52
132.1016
LEUCINE_R2
Leucine
ME166794
857
-
2.35
132.1016
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME166807
-
-
-
134.0445
Creatine-D3
Creatine
ME166774
-
-
0.89
135.0953
ADENINE
Adenine
ME166759
190
-
1.43
136.0617
Allopurinol
Allopurinol
ME166761
2094
-
6.10
137.0455
HYPOXANTHINE
Hypoxanthine
ME166787
790
-
1.97
137.0455
L-Leucine 13C6
Leucine
ME166796
-
-
2.52
138.1222
2-Aminonicotinic acid
2-Aminonicotinic acid
ME166749
18496
-
1.13
139.0542
L-Leucine-D10
Leucine
ME166797
16213587
-
2.49
142.1644
ERYTHRITOL
Erythritol
ME166783
222285
-
0.84
145.0492
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME166754
500
-
1.58
146.0921
L-GLUTAMINE
Glutamine
ME166795
5961
-
0.71
147.0759
L-LYSINE
Lysine
ME166798
5962
-
0.79
147.1124
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME166815
22880
-
0.74
148.0604
GUANINE
Guanine
ME166785
764
-
1.45
152.0563
Dipropylene glycol
-
ME166779
6510
-
6.48
157.0834
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME166762
-
-
0.89
162.0760
L-CARNITINE
Carnitine
ME166790
10917
-
0.94
162.1123
Methionine Sulfoxide
Methionine sulfoxide
ME166803
847
-
0.76
166.0532
BOC-D-Phenylalanine_R1
-
ME166766
-
-
11.43
166.0858
Phenylalanine
Phenylalanine
ME166818
6140
-
6.27
166.0858
PYRIDOXAL
Pyridoxal
ME166820
1050
-
1.87
168.0654
URATE
Uric acid
ME166828
1175
-
1.77
169.0357
L-Phenylalanine 13C6
Phenylalanine
ME166799
-
-
6.27
172.1066
D-Ribose
Ribose
ME166781
10975657
-
0.82
173.0419
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME166806
65065
-
1.41
176.0551
CITRULLINE
Citrulline
ME166772
9750
-
0.76
176.1027
2-Hydroxyphenylalanine
2-Hydroxy-L-Phenylalanine
ME166750
6950574
-
3.38
182.0806
BOC-L-Tyrosine_R1
Tyrosine
ME166768
-
-
-
182.0806
Triethyl phosphate
Triethyl phosphate
ME166824
6535
-
9.35
183.0782
PHOSPHOCHOLINE
Choline phosphate
ME166819
1014
-
0.71
184.0728
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME166789
439278
-
0.72
186.9996
2,4-DIHYDROXYPTERIDINE
Lumazine
ME166748
10250
-
3.76
187.0226
L-Tyrosine 13C6
Tyrosine
ME166802
-
-
3.38
188.1007
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME166813
440120
-
0.71
189.1597
3,4-DIHYDROXY-L-PHENYLALANINE
DOPA
ME166751
6047
-
2.29
198.0758
Caffeine-D3
Caffeine
ME166770
13001298
-
7.90
198.1065
ALDO/KETO-HEXOSE
Hexose
ME166760
-
-
0.73
203.0518
N-BOC-L-Tryptophan_R1
Tryptophan
ME166810
-
-
-
205.0967
Tryptophan
Tryptophan
ME166825
6305
-
7.66
205.0968
Tryptophan-2,3,3-D3
Tryptophan
ME166826
-
-
7.65
208.1162
N-Butylbenzenesulfonamide
-
ME166812
19241
-
11.90
214.0895
L-Tryptophan 13C11
Tryptophan
ME166801
-
-
7.66
216.1335
3,5-Di-tert-butylbenzaldehyde
-
ME166752
6440942
-
14.30
219.1745
L-CYSTATHIONINE
Cystathionine
ME166791
439258
-
0.73
223.0741
Monobutyl phthalate
Monobutylphthalate
ME166805
8575
-
12.42
223.0965
METHYL JASMONATE
Methyl jasmonate
ME166804
5281929
-
11.69
225.1475
DEOXYCYTIDINE
Deoxycytidine
ME166777
13711
-
2.18
228.0970
Leu Pro
Leu-Pro
ME166792
-
-
7.33
229.1544
CYTIDINE
Cytidine
ME166775
6175
-
1.56
244.0924
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME166808
-
-
-
256.0786
PEG n5
Pentaethylene glycol
ME166816
62551
-
7.07
261.1298
URIDINE
Uridine
ME166829
6029
-
2.74
267.0579
Dibutyl phthalate
Dibutyl phthalate
ME166778
3026
-
14.73
279.1584
BOC-D-Phenylalanine_R2
-
ME166767
-
-
11.43
288.1191
BOC-L-Tyrosine_R2
Tyrosine
ME166769
-
-
-
304.1144
N-BOC-L-Tryptophan_R2
Tryptophan
ME166811
-
-
-
327.1296
Erucamide
13Z-Docosenamide
ME166782
5365371
-
16.97
338.3418
Dipropyleneglycol dibenzoate
-
ME166780
89272
-
14.60
343.1535
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME166786
-
-
0.84
365.1052
Bis(2-ethylhexyl) phthalate
Bis(2-ethylhexyl)phthalate
ME166765
8343
-
16.63
391.2840
D-(+)-RAFFINOSE
Raffinose
ME166776
439242
-
0.84
527.1590
Analysis: UHPLC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
URACIL
Uracil
ME166883
1174
-
1.35
111.0196
Fumaric Acid
Fumaric acid
ME166849
444972
C00122
2.02
115.0036
SUCCINATE
Succinic acid
ME166877
1110
-
2.24
117.0189
THREONINE/HOMOSERINE
Threonine/Homoserine
ME166880
-
-
0.73
118.0510
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME166833
126
-
8.05
121.0296
SUCCINIC ACID-13C4
Succinic acid
ME166878
16213533
-
2.25
121.0328
TAURINE
Taurine
ME166879
1123
-
0.70
124.0074
4-oxoproline
4-Oxo-proline
ME166834
107541
-
1.77
128.0351
CREATINE
Creatine
ME166844
586
-
0.90
130.0621
ASPARTATE
Aspartic acid
ME166836
83887
-
0.71
132.0299
MALATE
Malic acid
ME166864
92824
-
1.05
133.0139
HYPOXANTHINE
Hypoxanthine
ME166855
790
-
1.99
135.0313
Salicylic Acid-D4
Salicylic acid
ME166875
46782907
-
9.95
141.0495
L-GLUTAMINE
Glutamine
ME166859
5961
-
0.72
145.0615
L-GLUTAMIC ACID
Glutamic acid
ME166858
33032
-
0.75
146.0457
CITRAMALATE
Citramalic acid
ME166841
1081
-
2.20
147.0299
GUANINE
Guanine
ME166854
764
-
1.47
150.0421
XANTHINE
Xanthine
ME166886
1188
-
2.45
151.0257
N-BOC-L-tert-Leucine_R1
-
ME166871
-
-
10.88
156.0664
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME166870
-
-
-
158.0089
3-methyladipic acid
3-Methyladipic acid
ME166831
12292
-
7.86
159.0663
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME166830
1662
-
2.93
161.0454
URATE
Uric acid
ME166884
1175
-
1.79
167.0208
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME166846
668
-
0.71
168.9902
L-Phenylalanine-13C6
Phenylalanine
ME166860
71309396
-
6.28
170.0915
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME166853
-
-
0.71
171.0061
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME166867
65065
-
1.42
174.0408
Ascorbic acid
Vitamin C
ME166835
54670067
-
1.16
175.0249
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME166840
-
-
0.77
179.0563
L-TYROSINE
Tyrosine
ME166862
6057
-
3.41
180.0662
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME166856
439278
-
0.72
184.9853
L-Tyrosine-13C6
Tyrosine
ME166863
12144755
-
3.41
186.0867
CITRATE
Citric acid
ME166842
311
-
1.85
191.0198
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME166845
-
-
0.85
193.0350
L-CARNITINE
Carnitine
ME166857
10917
-
1.08
196.0722
CITRIC ACID-13C6
Citric acid
ME166843
16217547
-
1.85
197.0392
3-tert-Butyladipic acid
Sebacic acid
ME166832
5192
-
9.87
201.1136
Tryptophan
Tryptophan
ME166881
6305
-
7.65
203.0824
BOC-L-Tyrosine_R1
Tyrosine
ME166837
-
-
-
206.0458
Tryptophan-2,3,3-D3
Tryptophan
ME166882
-
-
7.65
206.1015
D-SACCHARIC ACID
Glucaric acid
ME166848
33037
-
0.71
209.0303
L-Tryptophan-13C11
Tryptophan
ME166861
-
-
7.65
214.1190
GLUCOSE/FRUCTOSE
Hexose
ME166850
-
C00293/C01496
0.72
215.0327
Monobutyl phthalate
Monobutylphthalate
ME166866
8575
-
11.42
221.0821
N-BOC-L-Tryptophan_R1
Tryptophan
ME166873
-
-
-
229.0614
N-BOC-L-tert-Leucine_R2
-
ME166872
-
-
10.88
230.1392
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME166869
-
-
-
232.0830
URIDINE
Uridine
ME166885
6029
-
2.77
243.0613
Mono-(2-Ethylhexyl) Phthalate
Monoethylhexyl phthalic acid
ME166865
20393
-
13.54
277.1445
BOC-L-Tyrosine_R2
Tyrosine
ME166838
-
-
-
280.1194
N-BOC-L-Tryptophan_R2
Tryptophan
ME166874
-
-
-
303.1340
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME166868
439197
-
0.79
308.0981
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...
-
ME166839
-
-
0.79
341.1087
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose
-
ME166847
-
-
0.79
377.0859
SARCOSINE/BETA-ALANINE
-
ME166876
-
-
0.89
88.0398
GLYCERALDEHYDE/LACTATE
-
ME166852
-
-
1.21
89.0237
Glyceraldehyde
Glyceraldehyde
ME166851
751
C02154
0.74
89.0239
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