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Return to study ST000886 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazol-3(2H)-one
ME227959
17520
-
9.93
152.0162
6-Quinolincarboxylic Acid
1-Nitronaphthalene
ME227986
6849
-
8.03
174.0548
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME228068
439283
-
0.82
191.1022
Isocytosine
2-Amino-4-hydroxypyrimidine
ME228052
66950
-
1.51
112.0505
Anthranilate
2-Aminobenzoic acid
ME227996
227
-
8.5
120.0443
2-AMINOPHENOL
2-Aminophenol
ME227960
5801
-
1.8
110.0601
2-Hydroxyphenylalanine
2-Hydroxy-L-Phenylalanine
ME227961
6950574
-
3.3
182.081
PHENYLETHANOLAMINE
2-Hydroxyphenethylamine
ME228105
1000
-
5.18
138.0914
3-AMINO-4-HYDROXYBENZOIC ACID_R1
3-Amino-4-hydroxybenzoic acid
ME227964
65083
-
1.59
154.0492
3-AMINO-4-HYDROXYBENZOIC ACID_R2
3-Amino-4-hydroxybenzoic acid
ME227965
65083
-
1.9
154.0486
3'-CMP
3'-CMP
ME227966
6131
-
1.57
324.0576
BUTYROBETAINE
3-Dehydroxycarnitine
ME228007
725
C01181
1.18
146.1174
DEOXYCARNITINE
3-Dehydroxycarnitine
ME228022
725
-
1.66
146.1174
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME227967
1662
-
2.92
185.0418
3-METHOXY-L-TYROSINE
3-Methoxytyrosine
ME227969
9307
-
6.19
212.0909
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME228079
64969
-
0.7
170.0919
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME227975
500
-
1.56
146.0922
DIETHYL 2-METHYL-3-OXOSUCCINATE
4-Heptenal diethyl acetal
ME228025
97750
-
9.44
225.0753
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME227976
36143
-
0.79
168.0649
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME227978
137
-
0.72
132.0653
5'-DEOXYADENOSINE
5'-Deoxyadenosine
ME227979
439182
-
6.05
252.1085
5-HYDROXYINDOLEACETATE
5-Hydroxyindoleacetic acid
ME227980
1826
-
7.29
192.0678
5-Hydroxymethyl-2-furaldehyde
5-Hydroxymethyl-2-furancarboxaldehyde
ME227982
237332
-
0.78
127.0389
5-HYDROXY-L-TRYPTOPHAN
5-Hydroxy-tryptophan
ME227981
144
-
6.69
221.0918
5-METHYLCYTOSINE HYDROCLORIDE
5-Methylcytosine
ME227983
65040
-
1.04
126.0662
ADENINE
Adenine
ME227987
190
-
1.42
136.0617
ADENOSINE
Adenosine
ME227988
60961
-
5.63
268.1036
AGMATINE SULFATE
Agmatine
ME227989
199
-
0.68
131.129
ALANINE/SARCOSINE
Alanine/Sarcosine
ME227990
-
-
0.67
90.055
ALLANTOIN
Allantoin
ME227992
204
-
0.8
159.0511
Allopurinol
Allopurinol
ME227993
2094
-
6.08
137.0457
L-ARGININE
Arginine
ME228056
6322
-
0.69
175.1187
L-ASPARAGINE
Asparagine
ME228057
6267
-
0.69
133.0606
ASPARTATE_R1
Aspartic acid
ME228001
5960
-
0.89
134.0447
ASPARTATE_R2
Aspartic acid
ME228002
5960
-
0.69
134.0446
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME228087
-
-
-
256.0777
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME228088
-
-
-
134.0445
BETAINE
Betaine
ME228003
247
-
0.77
118.0861
CAFFEATE
Caffeic acid
ME228009
1549111
-
7.7
181.0492
Caffeine-D3
Caffeine
ME228010
13001298
-
7.88
198.1061
Camphor
Camphor
ME228011
2537
-
10.02
153.1272
Valerylcarnitine
CAR 5:0
ME228141
6426903
-
7.82
246.1696
Proprionylcarnitine
CAR DC3:0
ME228109
107738
-
6.57
218.1383
L-CARNITINE_R1
Carnitine
ME228058
10917
-
1.02
162.1123
L-CARNITINE_R2
Carnitine
ME228059
10917
-
1.13
162.1123
Choline
Choline
ME228012
305
-
0.81
104.107
PHOSPHOCHOLINE_R1
Choline phosphate
ME228106
1014
-
0.94
184.0719
PHOSPHOCHOLINE_R2
Choline phosphate
ME228107
1014
-
0.74
184.0728
TRANS-CINNAMALDEHYDE
Cinnamaldehyde
ME228132
637511
-
7.94
133.0647
4-COUMARATE
cis-p-Coumaric acid
ME227974
637542
-
8.32
165.0545
CITRAMALATE
Citramalic acid
ME228013
1081
-
2.54
171.0281
CMP
CMP
ME228014
6131
-
1
324.058
CREATINE
Creatine
ME228015
586
-
0.94
132.0768
Creatine-D3_R1
Creatine
ME228016
-
-
0.88
135.0956
Creatine-D3_R2
Creatine
ME228017
-
-
0.73
157.0791
Cyclic-ADP Ribose
Cyclic ADP-ribose
ME228018
123847
-
3.22
542.0674
L-CYSTATHIONINE
Cystathionine
ME228060
439258
-
0.77
223.074
CYTOSINE
Cytosine
ME228019
597
-
0.81
112.0505
DEOXYCYTIDINE
Deoxycytidine
ME228023
13711
-
2.11
228.0971
C5-SUGAR ALCOHOL
Dihydroxyquinoline
ME228008
-
-
0.73
175.0595
(R)-MALATE
D-Malic acid
ME227958
92824
-
1.06
157.0126
3,4-DIHYDROXY-L-PHENYLALANINE_R1
DOPA
ME227962
6047
-
2.3
198.0749
3,4-DIHYDROXY-L-PHENYLALANINE_R2
DOPA
ME227963
6047
-
2.44
198.0735
DOPAMINE
Dopamine
ME228026
681
-
2.71
154.0848
ERYTHRITOL_R1
Erythritol
ME228028
222285
-
0.88
145.0494
ERYTHRITOL_R2
Erythritol
ME228029
222285
-
0.76
145.0494
4-AMINOBUTANOATE (GABA)
gamma-Aminobutyric acid
ME227973
119
-
0.76
104.0706
L-GLUTAMINE
Glutamine
ME228063
5961
-
0.71
147.0762
GLYCEROL_R1
Glycerol
ME228034
753
-
0.98
115.0391
GLYCEROL_R2
Glycerol
ME228035
753
-
0.81
115.0388
GLYCEROL_R3
Glycerol
ME228036
753
-
0.7
115.0388
GLYCINE
Glycine
ME228038
750
-
0.68
76.0393
Glycyl-L-leucine_R1
Gly-Leu
ME228039
92843
-
6.48
189.1231
Glycyl-L-leucine_R2
Gly-Leu
ME228040
92843
-
6.79
189.1231
GUANINE
Guanine
ME228041
764
-
1.42
152.056
ALDO/KETO-HEXOSE
Hexose
ME227991
-
-
0.94
203.0522
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME228042
-
-
0.85
365.1045
HIPPURATE
Hippuric acid
ME228043
464
-
7.13
180.065
Hippuric Acid
Hippuric acid
ME228044
464
-
7.9
180.0702
L-HISTIDINE
Histidine
ME228064
6274
-
0.69
156.0766
HOMOCYSTEINE
Homocysteine
ME228045
778
-
0.97
136.0424
HOMOGENTISATE
Homogentisic acid
ME228046
780
-
6.17
169.0488
3-HYDROXYKYNURENINE
Hydroxykynurenine
ME227968
89
-
3.06
225.0848
Ibuprofen_R1
Ibuprofen
ME228047
3672
-
8.14
207.1377
Ibuprofen_R2
Ibuprofen
ME228048
3672
-
8.39
207.1377
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME227977
96215
-
0.91
127.0499
Indolepyruvate
Indolepyruvate
ME228049
803
-
6.81
204.0653
ISOCITRIC ACID_R1
Isocitric acid
ME228050
1198
-
1.1
193.0342
ISOCITRIC ACID_R2
Isocitric acid
ME228051
1198
-
1.11
215.0158
L-Isoleucine
Isoleucine
ME228066
6306
-
2.15
132.1018
Kynurenic Acid
Kynurenic acid
ME228053
3845
-
7.71
190.0496
L-KYNURENINE
Kynurenine
ME228067
161166
-
6.49
209.0918
L-(+)-Lactic Acid_R1
Lactic acid
ME228054
612
-
1.03
91.0391
L-(+)-Lactic Acid_R2
Lactic acid
ME228055
612
-
0.83
91.039
L-LEUCINE
Leucine
ME228069
857
-
2.44
132.1018
L-Leucine 13C6
Leucine
ME228070
-
-
2.45
138.1219
L-Leucine-D10
Leucine
ME228071
16213587
-
2.41
142.1646
Leu Pro_R1
Leu-Pro
ME228061
-
-
7.1
229.1543
Leu Pro_R2
Leu-Pro
ME228062
-
-
7.29
229.1543
L-HOMOCYSTEINE THIOLACTONE
L-Homocysteine thiolactone
ME228065
134505
-
0.91
118.032
L-LYSINE
Lysine
ME228072
5962
-
0.63
147.1126
L-METHIONINE
Methionine
ME228073
6137
-
1.35
150.0581
Methionine Sulfoxide
Methionine sulfoxide
ME228078
847
-
0.76
166.0529
N-ALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME228086
92907
-
1.23
189.123
N6-(DELTA2-ISOPENTENYL)-ADENINE
N6-Isopentenyladenine
ME228080
92180
-
7.48
204.1228
N-Acetyl-Arginine
N-Acetylarginine
ME228081
67427
-
1.54
217.1292
N-ACETYL-L-ASPARTIC ACID_R1
N-Acetylaspartic acid
ME228082
65065
-
1.47
176.0552
N-ACETYL-L-ASPARTIC ACID_R2
N-Acetylaspartic acid
ME228083
65065
-
1.66
176.0551
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME228084
122356
-
1.09
131.1177
N-ACETYLSEROTONIN
N-Acetylserotonin
ME228085
903
-
8.12
219.112
Formylkynurenine
N-Formyl-L-kynurenine
ME228031
910
-
10.65
237.0865
NICOTINAMIDE_R1
Niacinamide
ME228092
936
-
1.41
123.0553
NICOTINAMIDE_R2
Niacinamide
ME228093
936
-
1.59
123.0552
NICOTINAMIDE-N-OXIDE
Nicotinamide N-oxide
ME228094
-
-
1.46
139.0496
NICOTINATE
Nicotinic acid
ME228095
938
-
1.32
124.0394
3-NITRO-L-TYROSINE
Nitrotyrosine
ME227970
65124
-
6.31
227.0671
N-METHYL-D-ASPARTIC ACID_R1
N-Methyl-D-aspartic acid
ME228096
22880
-
0.95
148.0603
N-METHYL-D-ASPARTIC ACID_R2
N-Methyl-D-aspartic acid
ME228097
22880
-
0.74
148.0603
O-ACETYL-L-SERINE
O-Acetylserine
ME228099
99478
-
1.07
148.0603
ORNITHINE
Ornithine
ME228100
6262
-
0.64
133.0971
Glutathione Disulfide
Oxidized glutathione
ME228033
65359
-
3.83
307.0826
Pantothenic Acid
Pantothenic acid
ME228102
6613
-
6.61
220.1176
L-Phenylalanine 13C6
Phenylalanine
ME228074
-
-
6.22
172.1067
Phenylalanine
Phenylalanine
ME228104
6140
-
6.2
166.0861
PHENETHYLAMINE
Phenylethylamine
ME228103
1001
-
6.88
122.0963
Norephedrine
Phenylpropanolamine
ME228098
26934
-
6.42
152.1068
Orthophosphate
Phosphoric acid
ME228101
1061
-
0.84
98.9842
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME228108
439227
-
1.31
130.0862
L-PROLINE
Proline
ME228075
145742
-
0.8
116.0706
PUTRESCINE
Putrescine
ME228110
1045
-
0.63
89.1074
PYRIDOXAL
Pyridoxal
ME228111
1050
-
1.84
168.0651
PYRIDOXINE
Pyridoxine
ME228112
1054
-
2.83
170.0802
5-OXO-L-PROLINE_R1
Pyroglutamic acid
ME227984
7405
-
2.02
130.0498
5-OXO-L-PROLINE_R2
Pyroglutamic acid
ME227985
7405
-
1.75
130.0498
QUINATE_R1
Quinic acid
ME228113
6508
-
1.08
215.0516
QUINATE_R2
Quinic acid
ME228114
6508
-
1.06
193.0706
QUINATE_R3
Quinic acid
ME228115
6508
-
0.88
193.0704
D-(+)-RAFFINOSE_R1
Raffinose
ME228020
439242
-
1.04
527.1575
D-(+)-RAFFINOSE_R2
Raffinose
ME228021
439242
-
0.89
527.1574
RIBOFLAVIN
Riboflavin
ME228116
493570
-
7.97
377.1445
D-Ribose
Ribose
ME228027
10975657
-
0.87
173.0421
S-CARBOXYMETHYL-L-CYSTEINE
S-Carboxymethyl-cysteine
ME228117
193653
-
0.88
180.0322
L-SERINE
Serine
ME228076
5951
-
0.69
106.0499
SEROTONIN-NH3
Serotonin
ME228120
5202
-
6.89
160.0755
SEROTONIN_R1
Serotonin
ME228118
5202
-
6.51
177.1021
SEROTONIN_R2
Serotonin
ME228119
5202
-
6.82
177.102
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME228037
71920
-
0.76
258.1095
SPERMIDINE
Spermidine
ME228122
1102
-
0.6
146.165
SPERMINE
Spermine
ME228123
1103
-
0.63
203.2226
SUCCINATE
Succinic acid
ME228125
1110
-
2.24
141.0156
Syringic Acid
Syringic acid
ME228126
10742
-
7.24
199.0598
TAURINE_R1
Taurine
ME228127
1123
-
0.62
126.0263
TAURINE_R2
Taurine
ME228128
1123
-
0.62
126.0224
Tetrahydrothiophene-1-oxide
Tetrahydrothiophene-1-oxide
ME228129
1128
-
2.22
105.0368
THIAMINE
Thiamine
ME228130
1130
C00378
1.36
265.1112
THREONINE/HOMOSERINE
Threonine/Homoserine
ME228131
-
-
0.72
120.0654
TRANS-CINNAMATE
trans-Cinnamic acid
ME228133
444539
-
9.75
149.0595
FERULATE
trans-Ferulic acid
ME228030
445858
-
8.35
195.0649
Triethanolamine
Triethanolamine
ME228134
7618
-
0.76
150.1122
Trigonelline
Trigonelline
ME228135
5570
-
0.9
138.0547
N-BOC-L-Tryptophan_R1
Tryptophan
ME228090
-
-
-
327.1307
N-BOC-L-Tryptophan_R2
Tryptophan
ME228091
-
-
-
205.0968
Tryptophan
Tryptophan
ME228136
6305
-
7.62
205.0969
Tryptophan-2,3,3-D3
Tryptophan
ME228137
-
-
7.62
208.1156
TYRAMINE
Tyramine
ME228138
5610
-
4.46
138.0913
BOC-L-Tyrosine_R1
Tyrosine
ME228005
-
-
-
304.1147
BOC-L-Tyrosine_R2
Tyrosine
ME228006
-
-
-
182.0809
L-Tyrosine 13C6
Tyrosine
ME228077
-
-
3.3
188.1009
3-UREIDOPROPIONATE_R1
Ureidopropionic acid
ME227971
111
-
1.42
133.0601
3-UREIDOPROPIONATE_R2
Ureidopropionic acid
ME227972
111
-
1.23
133.0602
URATE
Uric acid
ME228139
1175
-
1.79
169.0355
URIDINE
Uridine
ME228140
6029
-
2.73
267.0583
ASCORBATE
Vitamin C
ME228000
54670067
-
1.97
177.041
Xanthurenic Acid
Xanthurenic acid
ME228142
5699
-
7.45
206.0444
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_R1
-
ME227994
-
-
0.83
162.0758
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_R2
-
ME227995
-
-
0.96
162.0758
ANTHRANILATE/4-AMINOBENZOATE_R1
-
ME227997
-
-
8.1
138.0549
ANTHRANILATE/4-AMINOBENZOATE_R2
-
ME227998
-
-
7.99
138.0549
ANTHRANILATE-Water
-
ME227999
-
-
7.88
120.0443
BOC-D-Phenylalanine
-
ME228004
637610
-
11.4
166.0861
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME228024
-
-
0.97
217.0321
GLUCOSAMINE/MANNOSAMINE
-
ME228032
-
-
0.77
180.0862
N-BOC-L-tert-Leucine
-
ME228089
-
-
10.84
132.1017
Source Fragment TRP
-
ME228121
-
-
7.65
118.0651
Starch acetate
-
ME228124
24832118
-
8.31
307.1014
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazol-3(2H)-one
ME228144
17520
-
9.93
150.0022
1-METHYLADENOSINE
1-Methyladenosine
ME228145
27476
-
6.29
280.1090
ANTHRANILATE
2-Aminobenzoic acid
ME228170
227
-
7.91
136.0410
ALPHA-HYDROXYISOBUTYRIC ACID
2-Hydroxyisobutyric acid
ME228167
11671
-
2.21
103.0403
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME228168
51
-
1.03
145.0151
ALPHA-KETOGLUTARIC ACID+2H
2-Oxoglutaric acid
ME228169
51
-
0.87
147.0304
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME228208
439278
-
0.74
184.9859
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME228148
873
-
8.71
165.0563
3,4-Dihydroxybenzenesulfonic Acid
3,4-Dihydroxybenzenesulfonic acid
ME228150
189003
-
6.46
188.9869
3-HYDROXYPHENYLACETATE
3-Hydroxyphenylacetic acid
ME228152
12122
-
7.53
151.0406
3-METHOXY-L-TYROSINE
3-Methoxytyrosine
ME228153
9307
-
6.19
210.0779
(S)-DIHYDROOROTATE
4,5-Dihydroorotic acid
ME228143
439216
-
1.25
157.0259
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME228155
500
-
1.58
144.0784
4-Hydroxybenzenesulfonic Acid
4-Hydroxybenzenesulfonic acid
ME228156
4765
-
7.08
172.9921
4-oxoproline
4-Oxo-proline
ME228158
107541
-
1.76
128.0358
5-HYDROXY-L-TRYPTOPHAN_R1
5-Hydroxy-tryptophan
ME228159
144
-
6.91
219.0784
5-HYDROXY-L-TRYPTOPHAN_R2
5-Hydroxy-tryptophan
ME228160
144
-
6.78
219.0784
6-Hydroxycaproic acid
6-Hydroxycaproic acid
ME228161
14490
-
7.82
131.0720
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME228162
91493
-
0.75
275.0216
ADENINE
Adenine
ME228163
190
-
1.46
134.0477
ADP
ADP
ME228164
6022
-
1.06
426.0238
ALDOPENTOSE
Aldopentose
ME228165
-
-
0.89
149.0460
ALLANTOIN
Allantoin
ME228166
204
-
0.80
157.0371
L-ARGININE
Arginine
ME228209
6322
-
0.70
173.1050
ASPARAGINE
Asparagine
ME228173
6267
-
0.70
131.0467
ASPARTATE
Aspartic acid
ME228174
83887
-
0.73
132.0307
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME228232
-
-
-
158.0101
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME228233
-
-
-
232.0837
CAFFEATE
Caffeic acid
ME228179
1549111
-
7.56
179.0370
CARNOSINE
Carnosine
ME228180
439224
-
0.70
225.1002
4-COUMARATE
cis-p-Coumaric acid
ME228154
637542
-
8.27
163.0407
CITRATE
Citric acid
ME228181
311
-
1.85
191.0204
CITRIC ACID-13C6
Citric acid
ME228182
16217547
-
1.85
197.0402
Cyclic ADP-ribose
Cyclic ADP-ribose
ME228183
123847
-
3.30
540.0556
L-CYSTATHIONINE
Cystathionine
ME228210
439258
-
0.71
221.0603
CYTIDINE
Cytidine
ME228184
6175
-
1.56
242.0791
DEOXYCYTIDINE
Deoxycytidine
ME228185
13711
-
2.14
226.0841
DEOXYURIDINE
Deoxyuridine
ME228186
13712
-
4.37
227.0681
3,4-DIHYDROXY-L-PHENYLALANINE
DOPA
ME228151
6047
-
2.26
196.0621
Ferulic acid sulfate_R1
Ferulic acid 4-sulfate
ME228191
6305574
-
8.11
273.0087
Ferulic acid sulfate_R2
Ferulic acid 4-sulfate
ME228192
6305574
-
8.25
273.0086
2,5-DIHYDROXYBENZOATE
Gentisic acid
ME228146
3469
-
7.36
153.0200
D-SACCHARIC ACID
Glucaric acid
ME228189
33037
-
0.72
209.0310
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME228193
-
-
0.71
195.0516
L-GLUTAMIC ACID
Glutamic acid
ME228211
33032
-
0.75
146.0464
L-GLUTAMINE
Glutamine
ME228212
5961
-
0.72
145.0623
GLUTATHIONE
Glutathione
ME228196
124886
-
1.51
306.0775
GLYCERIC ACID
Glyceric acid
ME228197
439194
-
0.79
105.0188
GLYCOLATE
Glycolic acid
ME228198
757
-
0.89
75.0084
GUANINE
Guanine
ME228199
764
-
1.44
150.0421
Guanosine
Guanosine
ME228200
6802
-
6.28
282.0855
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME228178
-
-
0.79
179.0568
GLUCOSE/FRUCTOSE_R1
Hexose
ME228194
5793
-
0.72
217.0305
GLUCOSE/FRUCTOSE_R2
Hexose
ME228195
-
C00293/C01496
0.72
215.0336
L-HISTIDINE
Histidine
ME228213
6274
-
0.69
154.0628
HYDROQUINONE
Hydroquinone
ME228203
785
-
7.42
109.0296
3-(4-HYDROXYPHENYL)LACTATE
Hydroxyphenyllactic acid
ME228149
9378
-
6.86
181.0515
Inosine_R1
Inosine
ME228204
-
C00294
0.95
267.0730
Inosine_R2
Inosine
ME228205
-
C00294
0.84
267.0729
ISOCITRIC ACID
Isocitric acid
ME228206
1198
-
1.14
191.0204
L-ISOLEUCINE_R1
Isoleucine
ME228214
6306
-
2.40
130.0878
L-ISOLEUCINE_R2
Isoleucine
ME228215
6306
-
2.16
130.0878
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME228157
70
-
7.16
129.0563
Kynurenic Acid
Kynurenic acid
ME228207
3845
-
7.63
188.0356
LysoPE (16:0)
LPE 16:0
ME228222
-
-
13.44
452.2800
MALATE
Malic acid
ME228223
92824
-
1.05
133.0148
MALONATE
Malonic acid
ME228224
867
-
1.19
103.0038
Mannitol
Mannitol
ME228225
6251
-
0.71
181.0722
L-METHIONINE
Methionine
ME228216
6137
-
1.36
148.0441
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME228226
94214
-
0.98
193.0724
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME228231
65065
-
1.59
174.0414
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME228228
185
-
2.14
188.0571
N-ACETYLGLYCINE
N-Acetylglycine
ME228230
10972
-
1.17
116.0357
N-ACETYL-DL-SERINE
N-Acetylserine
ME228229
352294
-
1.06
146.0464
Nicotinamide ribotide
Nicotinamide ribotide
ME228238
14180
-
1.22
379.0559
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME228239
439377
-
0.91
160.0621
OXALOACETATE
Oxaloacetic acid
ME228240
970
-
1.06
130.9991
L-Phenylalanine-13C6
Phenylalanine
ME228217
71309396
-
6.19
170.0925
PICOLINIC ACID
Picolinic acid
ME228241
1018
-
1.28
122.0252
Proline
Proline
ME228242
614
C16435
0.94
114.0564
PYRIDOXAL
Pyridoxal
ME228243
1050
-
1.85
166.0517
QUINATE
Quinic acid
ME228244
6508
-
0.81
191.0568
ROSMARINIC ACID
Rosmarinic acid
ME228245
1100862
-
8.94
359.0788
S-(5'-ADENOSYL)-L-HOMOCYSTEINE
S-Adenosylhomocysteine
ME228246
439155
-
4.76
383.1161
Salicylic Acid-D4
Salicylic acid
ME228247
46782907
-
9.92
141.0502
2-Hydroxyhippuric acid
Salicyluric acid
ME228147
10253
-
7.48
194.0469
L-SERINE
Serine
ME228218
5951
-
0.71
104.0355
SHIKIMATE_R1
Shikimic acid
ME228249
8742
-
1.05
173.0461
SHIKIMATE_R2
Shikimic acid
ME228250
8742
-
1.16
173.0461
SUCCINATE
Succinic acid
ME228251
1110
-
2.23
117.0197
SUCCINIC ACID-13C4
Succinic acid
ME228252
16213533
-
2.23
121.0312
TARTARIC ACID_R1
Tartaric acid
ME228253
444305
-
1.12
149.0094
TARTARIC ACID_R2
Tartaric acid
ME228254
444305
-
0.83
149.0096
TAURINE
Taurine
ME228255
1123
-
0.85
124.0076
THREONINE/HOMOSERINE
Threonine/Homoserine
ME228256
-
-
0.71
118.0514
FERULATE
trans-Ferulic acid
ME228190
445858
-
8.35
193.0511
N-BOC-L-Tryptophan_R1
Tryptophan
ME228236
-
-
-
303.1361
N-BOC-L-Tryptophan_R2
Tryptophan
ME228237
-
-
-
229.0625
Tryptophan
Tryptophan
ME228257
6305
-
7.62
203.0835
Tryptophan-2,3,3-D3
Tryptophan
ME228258
-
-
7.64
206.1024
BOC-L-Tyrosine_R1
Tyrosine
ME228175
-
-
-
280.1199
BOC-L-Tyrosine_R2
Tyrosine
ME228176
-
-
-
206.0466
L-TYROSINE
Tyrosine
ME228219
6057
-
3.32
180.0672
L-Tyrosine-13C6
Tyrosine
ME228220
12144755
-
3.31
186.0873
URATE
Uric acid
ME228259
1175
-
1.79
167.0218
URIDINE
Uridine
ME228260
6029
-
2.76
243.0629
L-VALINE
Valine
ME228221
6287
-
1.08
116.0721
Vanilloloside
Vanilloloside
ME228261
44577222
-
7.84
315.1096
ASCORBIC ACID
Vitamin C
ME228171
54670067
-
1.05
175.0253
ASCORBIC ACID-2H
Vitamin C
ME228172
54670067
-
0.97
173.0094
XANTHINE
Xanthine
ME228262
1188
-
2.44
151.0267
Xanthurenic Acid
Xanthurenic acid
ME228263
5699
-
7.45
204.0309
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...
-
ME228177
-
-
0.86
341.1098
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME228187
-
-
0.74
193.0360
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose
-
ME228188
-
-
0.84
377.0869
HEXANESULFONIC ACID
-
ME228201
49937
-
7.91
165.0563
HEXANESULFONIC ACID-Sulfate
-
ME228202
-
-
8.10
79.9568
Myo-Inositol D6
-
ME228227
-
-
0.68
231.1000
N-BOC-L-tert-Leucine_R1
-
ME228234
-
-
10.85
230.1404
N-BOC-L-tert-Leucine_R2
-
ME228235
-
-
10.85
156.0672
SARCOSINE/BETA-ALANINE
-
ME228248
-
-
0.76
88.0402
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