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Return to study ST000564 main page
Analysis: HPLC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME167290
119
-
0.86
104.0713
4-hydroxybutanoate
4-Methylthiobutylhydroximoyl-cysteinylglycine
ME167295
4
-
0.83
105.0551
L-SERINE
Serine
ME167407
5951
-
0.76
106.0505
DIETHANOLAMINE
Diethanolamine
ME167356
8113
-
0.79
106.0868
methionol
3-(Methylthio)-1-propanol
ME167410
10448
-
0.76
107.0538
CYTOSINE
Cytosine
ME167351
597
-
0.89
112.051
uracil
Uracil
ME167459
1174
-
3.01
113.0352
URACIL
Uracil
ME167460
1174
-
1.51
113.0352
norfuraneol
Norfuraneol
ME167422
4564493
-
0.89
115.0395
Proline
Proline
ME167436
614
-
0.89
116.0712
BETAINE
Betaine
ME167337
247
-
0.91
118.0867
Valine
Valine
ME167465
6287
-
1.18
118.0868
succinate
Succinic acid
ME167448
160419
-
2.41
119.0343
Threonine
Threonine
ME167451
6288
-
0.79
120.0659
benzoate
Benzoic acid
ME167333
242
-
3.54
123.0446
nicotinamide
Niacinamide
ME167419
936
-
3.79
123.0557
NICOTINATE
Nicotinic acid
ME167420
938
-
1.5
124.0397
4-hydroxy-5-methyl-2-methylene-3(2H)-furanone
-
ME167294
17755065
-
0.89
127.0393
ammeline
Ammeline
ME167330
12583
-
7.13
128.0548
4-hydroxy-2,5-dimethyl-3(2H)-furanone
Furaneol
ME167293
19309
-
0.81
129.055
octanal_R2
Caprylaldehyde
ME167424
454
-
9.12
129.1278
octanal_R1
Caprylaldehyde
ME167423
454
-
12.5
129.1279
L-pipecolate
Pipecolic acid
ME167405
439227
-
0.72
130.0865
PIPECOLATE
Pipecolic acid
ME167434
439227
-
1.32
130.0867
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME167415
122356
-
1.21
131.1182
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME167303
137
-
0.8
132.065
L-glutamate-5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME167400
193305
-
2.03
132.0659
L-Isoleucine
Isoleucine
ME167403
6306
-
2.58
132.1023
methylsuccinate
Methylsuccinic acid
ME167412
10349
-
0.89
133.0497
L-ASPARAGINE
Asparagine
ME167394
6267
-
0.76
133.0611
Aspartic acid
Aspartic acid
ME167332
5960
-
0.77
134.0451
4-methylthiobutanaldoxime
4-Methylthiobutanaldoxime
ME167297
3
-
0.76
134.0644
Adenine
Adenine
ME167319
190
-
1.63
136.0621
4-aminobenzoate
p-Aminobenzoic acid
ME167289
4876
-
0.89
138.0553
UROCANATE
Urocanic acid
ME167464
736715
-
2.13
139.0504
SUCCINATE
Succinic acid
ME167449
1110
-
2.38
141.0159
(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanon...
-
ME167266
25243894
-
0.9
141.0548
Leucine-D10
Leucine
ME167399
-
-
2.58
142.1649
ethyleneglycol-P
-
ME167368
12691400
-
2.02
143.0104
2-keto-6-aminocaproate
2-Keto-6-aminocaproate
ME167278
26
-
0.85
146.0815
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME167292
500
-
1.72
146.0928
2-oxoglutarate
2-Oxoglutaric acid
ME167281
2
-
2.02
147.0289
coumarin_R1
Coumarin
ME167345
323
-
8.92
147.0442
coumarin_R2
Coumarin
ME167346
323
-
7.03
147.0442
2-aceto-2-hydroxy-butanoate
2-Acetolactate
ME167275
22
-
0.83
147.066
Glutamine
Glutamine
ME167370
5961
-
0.79
147.0767
acetylcholine
Acetylcholine
ME167318
187
-
0.8
147.1244
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME167421
22880
-
0.82
148.0607
5-methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME167308
25010757
-
0.79
148.0797
TRANS-CINNAMATE
trans-Cinnamic acid
ME167453
444539
-
9.88
149.06
dihydrocoumarin
3,4-Dihydro-2H-1-benzopyran-2-one
ME167357
660
-
13.69
149.0601
2,3-dihydroxy-3-methylvalerate
2,3-Dihydroxy-3-methylvaleric acid
ME167274
12
-
0.8
149.0807
benzylisothiocyanate
Benzyl isothiocyanate
ME167334
2346
-
6.68
150.0383
penicillamine
Penicillamine
ME167427
5852
-
1.81
150.0581
L-METHIONINE
Methionine
ME167404
6137
-
1.5
150.0587
3-methyladenine
3-Methyladenine
ME167286
3
-
1.65
150.0776
D-ribulose
D-Ribulose
ME167363
151261
-
1.5
151.062
GUANINE
Guanine
ME167373
764
-
1.6
152.0563
guanine
Guanine
ME167374
764
-
6.38
152.057
dithiothreitol
D-1,4-Dithiothreitol
ME167362
446094
-
2.03
155.02
Histidine
Histidine
ME167377
6274
-
0.76
156.0771
(R)-MALATE
D-Malic acid
ME167271
92824
-
1.13
157.0111
ALLANTOIN
Allantoin
ME167326
204
-
0.86
159.0514
2-isopropylmaleate
Isopropylmaleate
ME167277
5280533
-
0.89
159.0656
aminoethoxyvinylglycine
-
ME167329
6436272
-
0.89
161.0924
indole-3-carboxylate
Indole-3-carboxylic acid
ME167387
69867
-
7.82
162.0548
allylcysteine
S-Allylcysteine
ME167327
23437571
-
3.01
162.0585
ALPHA-AMINOADIPATE
Aminoadipic acid
ME167328
92136
-
0.89
162.0762
L-2-aminoadipate
alpha-Aminoadipic acid
ME167392
92136
-
1.59
162.0762
2-dehydro-3-deoxy-L-rhamnonate
-
ME167276
49852300
-
0.89
163.0602
ethionine
L-Ethionine
ME167367
25674
-
6.65
164.0728
homomethionine
Homomethionine
ME167379
11298145
-
0.75
164.0742
1,5-anhydro-D-mannitol
1,5-Anhydro-mannitol
ME167272
445184
-
12.87
165.0762
L-2-amino-4-oxo-5-chloropentanoate_R1
-
ME167390
25200575
-
1.22
166.0251
L-2-amino-4-oxo-5-chloropentanoate_R2
-
ME167391
25200575
-
2.03
166.0263
ethiin
Ethiin
ME167366
146416
-
0.84
166.0535
7,8-dihydropterin
7,8-Dihydropterin
ME167312
65260
-
0.76
166.0712
L-beta-phenylalanine
-
ME167389
-
-
6.36
166.0865
melilotate
3-(2-Hydroxyphenyl)propanoic acid
ME167409
873
-
13.52
167.0708
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME167296
36143
-
0.89
168.0657
PYRIDOXAL
Pyridoxal
ME167438
1050
-
1.99
168.0658
PHOSPHO(ENOL)PYRUVIC ACID
Phosphoenolpyruvic acid
ME167431
1005
-
0.88
168.9897
Urate
Uric acid
ME167461
1175
-
1.98
169.0359
N-dimethylethanolamine phosphate
N-Dimethylethanolamine phosphate
ME167417
25201906
-
0.78
170.0585
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME167414
64969
-
0.79
170.0926
3,4-dihydroxyphenylglycol
3,4-Dihydroxyphenylglycol
ME167285
91528
-
2.38
171.0632
SN-GLYCEROL 3-PHOSPHATE
sn-Glycero-3-phosphate
ME167447
439162
-
0.83
173.0227
L-dehydro-ascorbate_R1
L-Dehydroascorbic acid
ME167396
15558810
-
2.02
175.024
L-dehydro-ascorbate_R2
L-Dehydroascorbic acid
ME167397
15558810
-
1.17
175.0241
gamma-glutamyl-ethylamide
-
ME167262
-
-
0.9
175.1079
Arginine
Arginine
ME167331
6322
-
0.76
175.1193
indole-3-acetate_R2
Indoleacetic acid
ME167382
802
-
8.01
176.0706
indole-3-acetate_R1
Indoleacetic acid
ME167381
802
-
9.97
176.0707
indole-3-acetate_R3
Indoleacetic acid
ME167383
802
-
7.88
176.0708
alpha-ethyl-L-glutamate
-
ME167259
-
-
1.2
176.0921
CITRULLINE
Citrulline
ME167342
9750
-
0.84
176.1033
D-glucurono-6,3-lactone
Glucuronolactone
ME167354
92283
-
1.24
177.0382
4-methylumbelliferone_R2
4-Methylumbelliferone
ME167300
5280567
-
8.28
177.0535
4-methylumbelliferone_R1
4-Methylumbelliferone
ME167299
5280567
-
12.54
177.0549
allantoate
Allantoic acid
ME167325
5287444
-
0.83
177.0619
CYS-GLY
Cys-Gly
ME167350
439498
-
0.89
179.0488
D-(+)-GLUCOSAMINE
Glucosamine
ME167352
439213
-
0.82
180.0869
coniferyl alcohol
Coniferyl alcohol
ME167344
1549095
-
7.12
181.0861
Tyrosine
Tyrosine
ME167458
6057
-
3.56
182.0816
D-sorbitol
Sorbitol
ME167365
5780
-
3.56
183.0849
lathyrine
Lathyrine
ME167395
166766
-
0.8
183.0867
PHOSPHOCHOLINE
Choline phosphate
ME167432
1014
-
0.79
184.0735
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME167393
439278
-
0.89
187.0003
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate
-
ME167267
53323638
-
3.08
188.0543
Tryptophan-NH3
Tryptophan
ME167457
-
-
7.73
188.0709
gamma-glutamyl-isopropylamide
-
ME167263
-
-
1.38
189.1234
homoarginine
Homoarginine
ME167378
9085
-
0.84
189.1346
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME167418
440120
-
0.77
189.1599
5-methoxyindoleacetaldehyde
5-Methoxyindoleacetaldehyde
ME167305
45479662
-
7.73
190.0846
methyl (indol-3-yl)acetate
Indole-3-methyl acetate
ME167411
74706
-
11.56
190.0866
8-methylthiooctanaldoxime
8-Methylthiooctanaldoxime
ME167315
25010745
-
0.93
190.1268
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME167456
-
-
7.73
191.0895
2-oxo-indole-3-acetate
-
ME167282
23
-
7.97
192.0653
5-hydroxyindole acetate
5-Hydroxyindoleacetic acid
ME167304
5
-
8.56
192.0658
L-quinate
Quinic acid
ME167406
6508
-
8.55
193.0691
QUINATE
Quinic acid
ME167440
6508
-
0.85
193.0694
L-dopachrome
Dopachrome
ME167398
46173181
-
8.3
194.0447
6-methylthiohexylhydroximate
-
ME167311
44237358
-
1.24
194.066
2-keto-L-gulonate
-
ME167279
7059386
-
8.3
195.0486
alpha-methyl-tyrosine
Metyrosine
ME167260
-
-
7.28
196.0971
TRANS-ACONITATE
trans-Aconitic acid
ME167452
444212
-
3.37
197.0057
Caffeine-D3
Caffeine
ME167339
13001298
-
8
198.1065
4,5-dihydroxyisophthalate
-
ME167287
54746222
-
1.2
199.022
vanillyl mandelate_R2
Vanillylmandelic acid
ME167467
6931438
-
8.5
199.0601
vanillyl mandelate_R1
Vanillylmandelic acid
ME167466
6931438
-
7.68
199.0602
MANNOSE
Mannose
ME167408
18950
-
0.81
203.0529
D-SORBITOL
Sorbitol
ME167364
5780
-
0.8
205.0686
Tryptophan
Tryptophan
ME167454
6305
-
7.73
205.0973
lipoamide
Lipoamide
ME167402
863
-
1.63
206.0661
N-amino DAP
N-Dimethylethanolamine phosphate
ME167416
25201959
-
9.08
206.1152
scoparone_R1
Scoparone
ME167444
8417
-
9.27
207.0652
scoparone_R2
Scoparone
ME167445
8417
-
8.31
207.0654
7-hydroxy-2-oxindole-3-acetic-acid_R1
-
ME167313
723
-
8.03
208.0606
7-hydroxy-2-oxindole-3-acetic-acid_R2
-
ME167314
723
-
7.58
208.0607
Tryptophan-2,3,3-D3
Tryptophan
ME167455
-
-
7.73
208.1161
3-(2'-methylthio)ethylmalic-acid
-
ME167283
32
-
1.01
209.0497
sinapyl-alcohol
Sinapyl alcohol
ME167446
5280507
-
7.28
211.0963
phlorisovalerophenone
4-Heptanone
ME167429
31246
-
9.89
211.0966
betalamate
-
ME167338
25246067
-
1
212.054
DIMBOA
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
ME167359
2358
-
8.3
212.0554
CITRATE
Citric acid
ME167341
311
-
2.02
215.0165
ISOCITRIC ACID
Isocitric acid
ME167388
1198
-
1.2
215.0165
bergapten
Bergapten
ME167335
5
-
7.93
217.0509
omega-hydroxylaurate
-
ME167264
-
-
12.71
217.1803
5-methyl-DL-tryptophan_R2
-
ME167307
5
-
0.8
219.113
5-methyl-DL-tryptophan_R1
-
ME167306
5
-
8.71
219.1131
albaflavenone_R2
Albaflavenone
ME167324
25137938
-
15.92
219.1745
albaflavenone_R1
Albaflavenone
ME167323
25137938
-
14.43
219.1746
8-methylthiooctylhydroximate
-
ME167316
44237310
-
0.89
222.0972
beta-eudesmol
beta-Eudesmol
ME167261
-
-
15.37
223.2057
cycloheptadienyl_R1
-
ME167348
44123451
-
9.28
225.0757
cycloheptadienyl_R2
-
ME167349
44123451
-
8.31
225.0757
3-(phosphonoacetylamido)-L-alanine
-
ME167284
46926153
-
7.59
227.0441
4-deoxypyridoxine 5'-phosphate
4-Deoxypyridoxine 5'-phosphate
ME167291
95687
-
7.59
234.0523
hypusine
Hypusine
ME167380
65396
-
0.75
234.1813
germacra-1(10),4,11(13)-trien-12-oate
-
ME167369
25245824
-
14.34
235.1694
D-GLUCOSE-6-PHOSPHATE
Glucose 6-phosphate
ME167353
5958
-
0.9
261.0373
2-(6'-methylthio)hexylmalate
-
ME167273
44237241
-
1.57
265.1117
S-5-methylthiopentylhydroximoyl-L-cysteine
-
ME167442
44237267
-
8.13
267.0848
Adenosine
Adenosine
ME167320
60961
-
5.92
268.1041
4-prenylphlorisovalerophenone_R1
-
ME167301
25200610
-
14.85
279.159
4-prenylphlorisovalerophenone_R2
-
ME167302
25200610
-
13.66
279.159
crepenynate
-
ME167347
5461139
-
15.62
279.2318
phaseic acid
Phaseic acid
ME167428
5281527
-
12.87
281.1383
(9Z,12E)-octadecadienoate
-
ME167270
25246006
-
16.43
281.2475
linoleate
Linoleic acid
ME167401
5280450
-
12.92
281.2478
pseudobaptigenin
Pseudobaptigenin
ME167437
5281805
-
8.16
283.0592
Guanosine
Guanosine
ME167375
6802
-
6.38
284.0987
indole-3-acetyl-L-aspartate
Indole-3-acetyl-aspartic acid
ME167384
6921620
-
8.85
291.0975
6-gingerol
Gingerol
ME167310
442793
-
12.88
295.1906
9,10-epoxy-12-cis-octadecenoate
-
ME167317
86583477
-
14.73
297.2421
4,8-sphingadienine
-
ME167288
71296149
-
12.77
298.2741
2-oxindole-3-acetyl-L-aspartate
-
ME167280
23
-
7.95
307.0924
glutathione
Glutathione
ME167371
124886
-
1.68
308.0914
S-8-methylthiooctylhydroximoyl-L-cysteine
-
ME167443
44237198
-
11.93
309.131
4-methylthiobutylhydroximoyl-cysteinylglycine
4-Methylthiobutylhydroximoyl-cysteinylglycine
ME167298
90658957
-
1.68
310.0873
phytosphingosine
Phytosphingosine
ME167433
122121
-
12.95
318.3
mugineate
-
ME167413
45266663
-
0.79
321.1289
CMP
CMP
ME167343
6131
-
0.92
324.0591
Uridine 5'-monophosphate
UMP
ME167463
6030
-
1.34
325.0435
5'-n-propylthioadenosine
-
ME167309
5
-
0.85
326.1269
(9Z)-12,13,17-trihydroxyoctadeca-9-enoate_R1
-
ME167268
52940143
-
11.19
331.2483
(9Z)-12,13,17-trihydroxyoctadeca-9-enoate_R2
-
ME167269
52940143
-
11.78
331.2487
dihydrosanguinarine
Dihydrosanguinarine
ME167358
124069
-
10.88
334.1081
indole-3-acetyl-N-beta-D-glucose
Indole-3-acetyl-N-beta-D-glucose
ME167385
25203545
-
7.86
338.1238
indole-3-acetyl-tyrosine
-
ME167386
44123409
-
10.07
339.1336
Adenosine monophosphate
AMP
ME167321
6083
-
1.79
348.0702
(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate
-
ME167265
13119151
-
11.78
353.2306
Guanosine monophosphate
GMP
ME167376
6804
-
2.08
364.0651
SUCROSE
Sucrose
ME167450
5988
-
0.93
365.1059
O-feruloylquinate_R1
-
ME167425
-
-
8.21
369.1178
O-feruloylquinate_R2
-
ME167426
-
-
8.72
369.1178
dioxindole-3-acetyl-3-O-beta-glucose
-
ME167361
25244878
-
7.6
370.1135
DIMBOA-beta-D-glucoside
-
ME167360
-
-
8.33
374.1084
S-(5'-ADENOSYL)-L-METHIONINE
S-Adenosylmethionine
ME167441
34755
-
0.88
399.1441
CDP
CDP
ME167340
6132
-
0.87
404.0251
Uridine 5'-diphosphate
UDP
ME167462
6031
-
0.9
405.0092
ADP
ADP
ME167322
6022
-
0.98
428.0364
GLYCINE
Glycine
ME167372
750
-
0.78
76.0401
piperidine
Piperidine
ME167435
8082
-
2.36
86.0972
pyruvate
Pyruvic acid
ME167439
107735
-
1.13
89.0241
BETA-ALANINE
beta-Alanine
ME167336
239
-
0.78
90.0557
D-glyceraldehyde
Glyceraldehyde
ME167355
79014
-
5.47
91.0397
phosphate
Phosphoric acid
ME167430
1061
-
0.91
98.9848
Analysis: HPLC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
acetoacetate
Acetoacetic acid
ME167529
3
-
0.81
101.024
DL-3-aminobutyrate
-
ME167562
25201443
-
0.81
102.0558
L-SERINE
Serine
ME167601
5951
-
0.76
104.035
GLYCERATE
Glyceric acid
ME167579
439194
-
0.9
105.019
2-oxopenta-3,4-dienoate
-
ME167498
25203760
-
2.03
111.0085
2-oxopent-4-enoate
-
ME167497
9543147
-
0.81
113.0243
MALEIC ACID
Maleic acid
ME167603
444266
-
2.17
115.0034
glutarate semialdehyde
Glutarate semialdehyde
ME167575
439963
-
3.09
115.04
SUCCINATE
Succinic acid
ME167626
1110
-
2.4
117.0193
Threonine
Threonine
ME167628
6288
-
0.79
118.0509
4-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME167508
4
-
8.66
121.0295
5-OXO-L-PROLINE
Pyroglutamic acid
ME167519
7405
-
1.9
128.0354
glutarate
Glutaric acid
ME167574
743
-
0.81
131.0349
L-ASPARAGINE
Asparagine
ME167598
6267
-
0.77
131.0462
Aspartic acid
Aspartic acid
ME167542
5960
-
0.78
132.0303
4-methylthiobutanaldoxime
4-Methylthiobutanaldoxime
ME167510
3
-
0.78
132.0486
(R)-MALATE
D-Malic acid
ME167471
92824
-
1.01
133.0142
2'-deoxyribose
-
ME167489
2
-
1.59
133.0506
Adenine
Adenine
ME167532
190
-
1.62
134.0471
2-hydroxy-3-nitropropionate
-
ME167490
78448633
-
1.01
135.0183
L-threonate
Threonic acid
ME167602
21145021
-
0.84
135.0299
2-hydroxy-5-methylquinone_R1
-
ME167491
69212
-
8.03
137.0243
2-hydroxy-5-methylquinone_R2
-
ME167492
69212
-
10.09
137.0243
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME167540
51
-
1.37
145.014
adipate
Adipic acid
ME167536
200164
-
7.17
145.0505
Glutamine
Glutamine
ME167573
5961
-
0.78
145.0617
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME167608
22880
-
0.81
146.0456
indole-3-carbinol
Indole-3-carbinol
ME167593
3712
-
8.55
146.0611
5-methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME167518
25010757
-
0.79
146.0649
D-xylonolactone
D-Xylono-1,5-lactone
ME167566
439692
-
1.54
147.0298
MEVALOLACTONE
Mevalolactone
ME167605
10428
-
2.3
147.0662
L-METHIONINE
Methionine
ME167600
6137
-
1.49
148.0437
D-(-)-ARABINOSE
Arabinose
ME167551
66308
-
0.9
149.0452
GUANINE
Guanine
ME167587
764
-
1.58
150.0413
XANTHINE
Xanthine
ME167637
1188
-
2.65
151.0261
XYLITOL
Xylitol
ME167638
6912
-
0.81
151.061
2,5-DIHYDROXYBENZOATE
Gentisic acid
ME167481
3469
-
7.58
153.0191
3,5-dihydroxybenzoate
m-Cresol
ME167499
54706645
-
9.04
153.0191
Histidine
Histidine
ME167589
6274
-
0.76
154.0621
ALLANTOIN
Allantoin
ME167537
204
-
0.85
157.0367
2-isopropylmaleate
Isopropylmaleate
ME167493
5280533
-
8.08
157.0503
2-oxoadipate
Oxoadipic acid
ME167495
2
-
1.85
159.0298
pimelate
Pimelic acid
ME167618
385
-
7.97
159.066
ALPHA-AMINOADIPATE
Aminoadipic acid
ME167539
92136
-
0.87
160.0615
L-2-aminoadipate
alpha-Aminoadipic acid
ME167597
92136
-
1.67
160.0615
allicin
Allicin
ME167538
65036
-
2.16
161.0089
2-deoxy-D-galactose (fructose/glucose)
-
ME167488
-
-
0.97
163.0609
phthalate
Phthalic acid
ME167617
181977
-
8.21
165.0192
7-methylxanthine
7-Methylxanthine
ME167526
7
-
0.82
165.0403
Urate
Uric acid
ME167635
1175
-
1.97
167.0207
homogentisate
Homogentisic acid
ME167590
780
-
9.14
167.0348
GLYCEROL 2-PHOSPHATE
sn-Glycero-2-phosphate
ME167580
2526
-
0.79
171.0062
6-diazo-5-oxonorleucine
-
ME167520
25246179
-
8.87
171.0661
SHIKIMATE
Shikimic acid
ME167623
8742
-
1.11
173.0455
suberate
Suberic acid
ME167625
5249080
-
8.67
173.0816
Arginine
Arginine
ME167541
6322
-
0.76
173.1043
D-glucurono-6,3-lactone
Glucuronolactone
ME167554
92283
-
1.3
175.0244
diphosphate
Pyrophosphate
ME167560
644102
-
0.77
176.9358
D-galacto-hexodialdose
Galacto-hexodialdose
ME167553
439962
-
1.85
177.0402
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME167509
979
-
8.44
179.0348
MYO-INOSITOL
Myo-inositol
ME167607
892
-
0.82
179.0558
dihydroconiferyl aldehyde
Dihydroconiferyl aldehyde
ME167557
529899
-
11.23
179.0712
Tyrosine
Tyrosine
ME167631
6057
-
3.54
180.0662
HOMOVANILLATE
Homovanillic acid
ME167591
1738
-
7.58
181.0506
D-SORBITOL
Sorbitol
ME167565
5780
-
0.79
181.0714
triketide pyrone
-
ME167630
44237250
-
10.64
181.087
3-carboxy-4-methoxy-N-methyl-2-pyridone
m-Cresol
ME167500
342
-
6.42
182.0459
D-(-)-3-PHOSPHOGLYCERIC ACID_R1
3-Phosphoglyceric acid
ME167549
724
-
0.79
184.9855
D-(-)-3-PHOSPHOGLYCERIC ACID_R2
3-Phosphoglyceric acid
ME167550
724
-
0.81
184.9855
oxalosuccinate
Oxalosuccinic acid
ME167611
972
-
0.91
189.0041
2-oxo-indole-3-acetate
-
ME167496
23
-
8.55
190.0509
ISOCITRIC ACID
Isocitric acid
ME167596
1198
-
1.04
191.0194
CITRATE
Citric acid
ME167546
311
-
2.02
191.0195
QUINATE
Quinic acid
ME167620
6508
-
0.87
191.0558
D-GLUCURONOLACTONE
Glucuronolactone
ME167555
92283
-
0.8
193.0352
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME167604
94214
-
0.9
193.0715
alpha-methyl-tyrosine
Metyrosine
ME167469
-
-
13.4
194.0818
GLUCONIC ACID
Gluconic acid
ME167570
10690
-
0.79
195.051
TRIBOA
TRIBOA
ME167629
10965465
-
10.38
196.0249
3-hydroxy-2-oxo-indole-3-acetate
-
ME167501
25202316
-
8.02
206.0457
D-SACCHARIC ACID
Glucaric acid
ME167564
33037
-
0.81
209.0303
phlorisovalerophenone
4-Heptanone
ME167614
31246
-
8.6
209.082
2-deoxy-alpha-D-ribose 1-phosphate
Deoxyribose 1-phosphate
ME167487
-
-
11.29
213.015
Glucose/Fructose [M+Cl]-
Hexose
ME167572
-
-
0.8
215.0329
4-amino-2-methyl-5-phosphomethylpyrimidine
4-Amino-2-methyl-5-phosphomethylpyrimidine
ME167507
25244846
-
0.8
218.0328
4-nitrophenyl phosphate
4-Nitrophenyl phosphate
ME167512
378
-
0.78
218.9941
rishitin
Rishitin
ME167621
108064
-
14.09
221.1547
cycloheptadienyl
-
ME167547
44123451
-
9.28
223.0611
benzyladenine
Cytokinin B
ME167543
62389
-
13.28
224.0926
pyrimidin-2-one-ribonucleoside
-
ME167619
100016
-
0.81
227.0657
D-RIBOSE 5-PHOSPHATE
Ribose 5-phosphate
ME167563
439167
-
0.79
229.0115
15-hydroxysolavetivone
15-Hydroxysolavetivone
ME167475
25200393
-
14.33
233.1544
URIDINE
Uridine
ME167636
6029
-
3
243.062
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME167581
439964
-
0.8
245.0427
Glucose 6-phosphate/Fructose 6-phosphate
Glucose 6-phosphate
ME167571
-
-
0.78
259.0224
Inosine
Inosine
ME167594
6021
-
0.88
267.0719
inosine
Inosine
ME167595
6021
-
6.26
267.0731
phenoxy radical VIII
-
ME167613
13815501
-
11.24
271.0613
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME167523
91493
-
0.9
275.0193
2-C-methyl-D-erythritol-2,4-cyclodiphosphate_R2
-
ME167486
2
-
0.83
276.9885
2-C-methyl-D-erythritol-2,4-cyclodiphosphate_R1
-
ME167485
2
-
0.8
276.9886
4-prenylphlorisovalerophenone_R1
-
ME167513
25200610
-
13.65
277.1437
4-prenylphlorisovalerophenone_R2
-
ME167514
25200610
-
13.03
277.1438
linoleate
Linoleic acid
ME167599
5280450
-
16.41
279.233
Guanosine
Guanosine
ME167588
6802
-
6.37
282.0839
2,4',5,7-tetrahydroxyisoflavanone_R1
2-Hydroxy-2,3-dihydrogenistein
ME167478
443902
-
9.98
287.0558
2,4',5,7-tetrahydroxyisoflavanone_R2
2,5,7-Trihydroxy-4'-methoxyisoflavanone
ME167479
443902
-
10.59
287.0558
indole-3-acetyl-L-aspartate
Indole-3-acetyl-aspartic acid
ME167592
6921620
-
8.84
289.0823
6-gingerol_R1
Gingerol
ME167521
442793
-
12.21
293.1753
6-gingerol_R2
Gingerol
ME167522
442793
-
12.87
293.1753
9,10-epoxy-12-cis-octadecenoate_R1
-
ME167527
86583477
-
14.73
295.2271
9,10-epoxy-12-cis-octadecenoate_R2
-
ME167528
86583477
-
13.71
295.2272
4-(beta-D-glucosyloxy)benzoate_R1
-
ME167504
-
-
6.66
299.0767
4-(beta-D-glucosyloxy)benzoate_R3
-
ME167506
-
-
7.63
299.0768
4-(beta-D-glucosyloxy)benzoate_R2
-
ME167505
-
-
7.28
299.077
2,5,7-trihydroxy-4'-methoxyisoflavanone
2,5,7-Trihydroxy-4'-methoxyisoflavanone
ME167480
25203448
-
11.34
301.0718
2-oxindole-3-acetyl-L-aspartate
-
ME167494
23
-
7.94
305.0777
GLUTATHIONE
Glutathione
ME167576
124886
-
1.69
306.0759
alpha-ketol
-
ME167468
-
-
13.17
311.2226
2,5-dihydroxybenzoate 5-O-beta-D-glucoside_R2
-
ME167483
-
-
7.11
315.0719
2,5-dihydroxybenzoate 5-O-beta-D-glucoside_R1
-
ME167482
-
-
7.57
315.072
(9R,10S)-dihydroxystearate
-
ME167470
25201835
-
12.89
315.2541
mugineate
-
ME167606
45266663
-
0.79
319.1145
UMP
UMP
ME167634
6030
-
1.34
323.0283
1-O-vanilloyl-beta-D-glucose_R2
1-O-Vanilloyl-beta-D-glucose
ME167477
-
-
7.53
329.0871
1-O-vanilloyl-beta-D-glucose_R1
1-O-Vanilloyl-beta-D-glucose
ME167476
-
-
7.18
329.0872
1,3-dioctanoylglycerol_R3
-
ME167474
150911
-
11.78
329.2329
1,3-dioctanoylglycerol_R1
-
ME167472
150911
-
10.64
329.233
1,3-dioctanoylglycerol_R2
-
ME167473
150911
-
11.18
329.233
4-methylumbelliferyl glucoside
-
ME167511
2733779
-
7.93
337.0926
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME167568
10267
-
0.72
338.9887
SUCROSE
Sucrose
ME167627
5988
-
0.87
341.1079
dihydroconiferyl alcohol glucoside
Dihydroconiferyl alcohol glucoside
ME167556
14427336
-
9.12
343.1396
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME167534
6083
-
1.8
346.0549
5-hydroxytryptophol glucuronide_R1
5-Hydroxytryptophol glucuronide
ME167516
-
-
7.9
352.1032
5-hydroxytryptophol glucuronide_R2
5-Hydroxytryptophol glucuronide
ME167517
-
-
8.02
352.1032
5-amino-6-(5-phospho-D-ribosylamino)uracil
D-Ribofuranosylamine 5-phosphate
ME167515
25245199
-
8.39
353.0513
scopolin
Scopolin
ME167622
439514
-
7.59
353.0874
penicillin N
Penicillin N
ME167612
71724
-
0.84
358.1069
GMP
GMP
ME167583
6804
-
2.1
362.0507
O-feruloylquinate_R1
-
ME167609
-
-
8.11
367.103
O-feruloylquinate_R2
-
ME167610
-
-
8.61
367.1031
7-hydroxy-2-oxindole-3-acetate glucoside
7-Methylthioheptyl-desulfoglucosinolate
ME167524
723
-
7.59
368.0983
sinapaldehyde glucoside
Sinapaldehyde glucoside
ME167624
25244544
-
0.81
369.1209
DIMBOA-beta-D-glucoside_R1
-
ME167558
-
-
7.57
372.0923
DIMBOA-beta-D-glucoside_R2
-
ME167559
-
-
8.32
372.0927
2-alpha-D-glucosyl-D-glucose [M+Cl]-
-
ME167484
-
-
0.89
377.0856
diphyllin
Diphyllin
ME167561
100492
-
0.89
379.0816
7-methylthioheptyldesulfoglucosinolate
7-Methylthioheptyl-desulfoglucosinolate
ME167525
90657713
-
0.88
382.1347
acetylmaltose_R1
Acetyl-maltose
ME167530
439660
-
7.85
383.1179
acetylmaltose_R2
Acetyl-maltose
ME167531
439660
-
8.17
383.118
CYTIDINE 5'-DIPHOSPHATE
CDP
ME167548
6132
-
0.87
402.0097
UDP
UDP
ME167632
6031
-
0.9
402.994
3-methylthiopropyl-glucosinolate
-
ME167503
3
-
2.02
406.0321
benzylglucosinolate
-
ME167544
21600402
-
12.45
408.0421
adenosine 3',5'-bisphosphate
-
ME167533
35
-
1.22
426.0218
adenylo-succinate
Adenylsuccinic acid
ME167535
46878398
-
6.58
462.0663
D-(+)-RAFFINOSE
Raffinose
ME167552
439242
-
0.88
503.1617
gossypol-6,6'-dimethyl ether
-
ME167586
25200979
-
0.87
545.2203
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester)...
-
ME167584
-
-
7.86
546.1726
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester)...
-
ME167585
-
-
8.11
546.1726
UDP-alpha-D-galactose
-
ME167633
-
-
0.86
565.0475
GDP-beta-L-fucose
GDP-beta-L-fucose
ME167569
-
-
1.2
588.0739
3-hydroxypropionaldehyde
3-Hydroxypropanal
ME167502
75049
-
2.39
73.0288
ethylnitronate
Ethylnitronate
ME167567
-
-
0.77
74.0241
GLYCOLATE
Glycolic acid
ME167582
757
-
1.12
75.008
BETA-ALANINE
beta-Alanine
ME167545
239
-
0.78
88.0399
Glyceraldehyde
Glyceraldehyde
ME167577
751
-
0.81
89.024
GLYCERALDEHYDE
Glyceraldehyde
ME167578
751
-
1.3
89.024
phosphate_R2
Phosphoric acid
ME167616
1061
-
0.82
96.9684
phosphate_R1
Phosphoric acid
ME167615
1061
-
0.77
96.9692
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