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Return to study ST000248 main page
Analysis: ESI 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
ME700769
535
C01234
0.96
102.0557
3'-CMP
3'-CMP
ME700768
6131
C05822
1.65
324.0591
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME700765
119
C00334
0.82
104.0712
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME700766
96215
C02835
1.06
127.0505
5-OXO-L-PROLINE
Pyroglutamic acid
ME700767
7405
C01879
1.94
130.0502
Adenine
Adenine
ME700712
190
C00147
1.69
136.0621
Adenosine
Adenosine
ME700713
60961
C00212
6
268.1041
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME700714
6083
C00020
1.78
348.0701
AGMATINE SULFATE
Agmatine
ME700715
199
C00179
0.78
131.1294
ALPHA-AMINOADIPATE
Aminoadipic acid
ME700716
469
C00956
0.79
162.0761
Arginine
Arginine
ME700717
6322
C00062
0.78
175.1192
BETAINE
Betaine
ME700718
247
C00719
0.87
118.0867
Caffeine-D3
Caffeine
ME700719
13001298
-
7.98
198.1065
CMP
CMP
ME700720
6131
C00055
1.13
324.0591
Creatine-D3
Creatine
ME700721
-
-
0.97
135.096
Creatinine
Creatinine
ME700722
588
C00791
1.04
114.0666
CYTIDINE
Cytidine
ME700723
6175
C00475
1.84
244.0929
CYTOSINE
Cytosine
ME700724
597
C00380
0.95
112.0509
D-(-)-ARABINOSE
Arabinose
ME700725
66308
-
0.83
173.0422
D-(+)-GLUCOSAMINE
Glucosamine
ME700726
441477
C08349
0.78
180.0869
D-GLUCOSAMINE 6-PHOSPHATE
Glucosamine 6-phosphate
ME700727
440997
C00352
0.71
260.0531
D-GLUCOSE-6-PHOSPHATE
Glucose 6-phosphate
ME700728
5958
C00092
0.71
261.0373
DIETHANOLAMINE
Diethanolamine
ME700729
8113
C06772
0.8
106.0868
Glutamine
Glutamine
ME700730
5961
C00303
0.78
147.0765
GLYCEROL
Glycerol
ME700731
753
C00116
0.84
115.037
GMP
GMP
ME700732
6804
C00144
2.04
364.0652
GUANINE
Guanine
ME700733
764
C00242
1.68
152.0567
Guanosine
Guanosine
ME700734
6802
C00387
6.38
284.0987
HYPOXANTHINE
Hypoxanthine
ME700735
790
C00262
2.17
137.046
L-HISTIDINOL
L-Histidinol
ME700736
165271
C00860
0.76
142.0976
L-Isoleucine
Isoleucine
ME700737
6306
C16434
2.48
132.1021
L-METHIONINE
Methionine
ME700738
6137
C00073
1.54
150.0585
L-ORNITHINE
Ornithine
ME700739
6262
C00077
0.69
133.0974
LysoPC(20:4(8Z,11Z,14Z,17Z))
LPC 20:4(8Z,11Z,14Z,17Z)*
ME700740
53480469
-
13.65
544.3376
MANNOSE
Mannose
ME700741
18950
C00159
0.78
203.0528
N-ACETYL-D-GALACTOSAMINE
N-Acetylgalactosamine
ME700742
35717
C01132
0.88
244.0793
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME700743
439197
C00270
0.82
310.1132
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME700744
122356
C02714
1.29
131.1182
NICOTINAMIDE
Niacinamide
ME700745
936
C00153
1.78
123.0557
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME700746
22880
C12269
0.8
148.0605
NORLEUCINE
Norleucine
ME700747
21236
C01933
2.92
132.1021
Phenylalanine
Phenylalanine
ME700748
6140
C02057
6.53
166.0866
Phenylalanine-HCOOH
-
ME700749
-
C02057-COOH
6.53
120.0811
PHOSPHOCHOLINE
Choline phosphate
ME700750
135437
-
0.78
184.0736
Proline
Proline
ME700751
145742
C16435
0.91
116.0711
PUTRESCINE
Putrescine
ME700752
1045
C00134
0.73
89.108
SPERMIDINE
Spermidine
ME700753
1102
C00315
0.71
146.1654
SPERMINE
Spermine
ME700754
1103
C00750
0.75
203.2233
Threonine
Threonine
ME700755
6288
C00188
0.78
120.0659
TRANS-CINNAMATE
trans-Cinnamic acid
ME700756
444539
C00423
9.89
149.0597
Tryptophan
Tryptophan
ME700757
6305
C00806
7.79
205.0973
Tryptophan-2,3,3-D3
Tryptophan
ME700758
-
-
7.79
208.1161
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME700759
-
-
7.79
191.0895
Tyrosine
Tyrosine
ME700760
6057
C01536
3.74
182.0813
UMP
UMP
ME700761
6030
C00105
1.28
325.0434
URACIL
Uracil
ME700762
1174
C00106
1.52
113.035
URIDINE
Uridine
ME700763
6029
C00299
3.04
267.0589
UROCANATE
Urocanic acid
ME700764
1549103
-
2.23
139.0505
Analysis: ESI negative ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10,16-Dihydroxyhexadecanoic acid_R1
-
ME700792
441449
C08285
12.39
287.2223
10,16-Dihydroxyhexadecanoic acid_R2
-
ME700793
441449
C08285
12.88
287.2223
10,16-Dihydroxyhexadecanoic acid_R3
-
ME700794
441449
C08285
11.99
287.2224
10-Oxodecanoate
10-Oxodecanoic acid
ME700795
19734156
C02217
12.46
185.1176
12-Hydroxydodecanoic acid_R1
12-Hydroxy lauric acid
ME700796
79034
C08317
12.77
215.1643
12-Hydroxydodecanoic acid_R2
12-Hydroxy lauric acid
ME700797
79034
C08317
11.03
215.1643
13(S)-HPOT_R1
13S-HpOTrE
ME700798
5497123
C04785
13.65
309.2072
13(S)-HPOT_R2
13S-HpOTrE
ME700799
5497123
C04785
13.98
309.2072
1-(4-carboxybutanamido)-1'-(dimethylcarbamoyl)ferr...
-
ME700790
-
-
11.64
385.0879
14-Dihydroxycornestin
Cornexistin
ME700800
5281160
C08483
12.74
307.1163
16-Dehydroprogesterone
16,17-Didehydroprogesterone
ME700801
101964
C03207
14.98
311.2019
16-Hydroxypalmitate_R1
Juniperic acid
ME700802
10466
C18218
13.38
271.228
16-Hydroxypalmitate_R2
Juniperic acid
ME700803
10466
C18218
15.19
271.228
1,6-Naphthalenedisulfonic acid
Naphthalene-1,6-disulfonic acid
ME700791
10676
C16193
1.3
286.9696
16-Oxo-palmitate
-
ME700804
15931626
C19614
15.25
269.212
1-Deoxy-D-altro-heptulose 7-phosphate
1-Deoxy-D-altro-heptulose 7-phosphate
ME700805
15942876
C04359
0.71
273.0379
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...
PE 16:0_18:1
ME700806
59834030
C13877
16.61
716.5206
1-Hydroxy-2-naphthoate
1-Hydroxy-2-naphthoate
ME700807
6844
C03203
1.3
187.0412
1-Naphthalenesulfonic acid
Naphthalene-1-sulfonic acid
ME700808
6812
C16201
8.78
207.0111
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid_R...
(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acid
ME700771
16061079
-
14.17
267.1966
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid_R...
(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acid
ME700772
16061079
-
14.02
267.1967
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid_R...
(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acid
ME700773
16061079
-
14.46
267.1966
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-...
-
ME700809
256418
C15050
13.07
379.1555
2,3-Dihydroxycyclopentaneundecanoic acid
-
ME700810
243756
C14987
11.56
285.2072
2,3-Dihydroxy-p-cumate
-
ME700811
54675852
C06580
11.79
195.0655
2,3-Dimethylmaleate
Dimethyl maleate
ME700812
3032309
C00922
0.79
143.0336
2,4-Dichlorobenzoate
2,4-Dichlorobenzoic acid
ME700813
4294268
C06670
11.46
188.9507
2,4-Dinitrophenol
2,4-Dinitrophenol
ME700814
1493
C02496
11.23
183.0037
2,5-Dioxopentanoate_R1
-
ME700815
21872870
C00433
3.87
129.018
2,5-Dioxopentanoate_R2
-
ME700816
21872870
C00433
0.83
129.018
2-Aceto-2-hydroxybutanoate_R1
2-Acetolactate
ME700817
21
C00659
7.18
145.0496
2-Aceto-2-hydroxybutanoate_R2
2-Acetolactate
ME700818
21
C00659
3.97
145.0494
2-Chloro-1,4-naphthoquinone
2-Chloro-1,4-naphthoquinone
ME700819
13891
C03753
8.5
190.9904
2-Dehydro-D-xylonate
(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acid
ME700820
439852
C02928
2.36
163.0237
2-deoxy-D-galactose (fructose/glucose)
-
ME700821
-
-
1.01
163.0602
(2E)-hexenedioylcarnitine
-
ME700774
-
-
11.92
286.13
2-Ethylhexyl phthalate_R1
Monoethylhexyl phthalic acid
ME700822
-
C03343
13.66
277.1442
2-Ethylhexyl phthalate_R2
Monoethylhexyl phthalic acid
ME700823
-
C03343
12.81
277.1442
2-Ethylhexyl phthalate_R3
Monoethylhexyl phthalic acid
ME700824
-
C03343
14.71
277.1442
2-hydroxy-10-undecenoic acid_R1
-
ME700830
5312742
-
12.73
199.1334
2-hydroxy-10-undecenoic acid_R2
-
ME700831
5312742
-
11.45
199.1334
2-Hydroxy-2,4-pentadienoate_R1
2-Hydroxypenta-2,4-dienoic acid
ME700832
54675827
C00596
0.79
113.023
2-Hydroxy-2,4-pentadienoate_R2
2-Hydroxypenta-2,4-dienoic acid
ME700833
54675827
C00596
6.01
113.0229
2-hydroxy enanthoic acid_R1
2-Hydroxy enanthoic acid
ME700825
2750949
-
8.38
145.0857
2-hydroxy enanthoic acid_R2
2-Hydroxy enanthoic acid
ME700826
2750949
-
8.75
145.0857
2-hydroxy hendecanoic acid_R1
-
ME700827
5282899
-
12.14
201.1489
2-hydroxy hendecanoic acid_R2
-
ME700828
5282899
-
11.74
201.1489
2-hydroxy pelargonic acid
-
ME700829
5282897
-
10.61
173.1173
2-hydroxy-pentadecanoic acid_R1
-
ME700834
5282903
-
12.37
257.2117
2-hydroxy-pentadecanoic acid_R2
-
ME700835
5282903
-
13.65
257.2118
2-HYDROXYPHENYLACETIC ACID
2-Hydroxyphenylacetic acid
ME700836
11914
C01983
7.81
151.039
2-hydroxy-tridecanoic acid_R1
-
ME700837
5282901
-
12.99
229.1802
2-hydroxy-tridecanoic acid_R2
-
ME700838
5282901
-
11.49
229.1802
2-hydroxy-tridecanoic acid_R3
-
ME700839
5282901
-
13.41
229.1802
2-Isopropylmaleate_R1
Isopropylmaleate
ME700840
5280533
C02631
7.71
157.0495
2-Isopropylmaleate_R2
Isopropylmaleate
ME700841
5280533
C02631
6.99
157.0495
2-Isopropylmaleate_R3
Isopropylmaleate
ME700842
5280533
C02631
8.37
157.0495
2-Isopropylmaleate_R4
Isopropylmaleate
ME700843
5280533
C02631
10.91
157.0495
2-Methylaminoadenosine
-
ME700844
439946
C03218
11.65
295.1169
2-methyl-dodecanedioic acid_R1
-
ME700845
9543654
-
11.62
243.1601
2-methyl-dodecanedioic acid_R2
-
ME700846
9543654
-
11.31
243.1601
2''-O-Galloylisovitexin
-
ME700847
44257729
-
11.28
583.1101
2-Oxo-3-hydroxy-4-phosphobutanoate
2-Oxo-3-hydroxy-4-phosphobutanoic acid
ME700848
25245610
C06054
8.42
212.9786
2-Oxobutanoate_R1
3-Methyl pyruvic acid
ME700849
58
C00109
0.79
101.0231
2-Oxobutanoate_R2
3-Methyl pyruvic acid
ME700850
58
C00109
6.41
101.023
2-Oxooctadecanoic acid
2-Oxo-octadecanoic acid
ME700851
439332
C00869
14.03
297.243
2S-Hydroxytetradecanoic acid_R1
2-Hydroxymyristic acid
ME700852
656737
C13790
14.02
243.1961
2S-Hydroxytetradecanoic acid_R2
2-Hydroxymyristic acid
ME700853
656737
C13790
12.03
243.1961
3-(2-Hydroxyphenyl)propanoate_R1
3-(2-Hydroxyphenyl)propanoic acid
ME700854
6930705
C01198
11.77
165.0548
3-(2-Hydroxyphenyl)propanoate_R2
3-(2-Hydroxyphenyl)propanoic acid
ME700855
6930705
C01198
12.27
165.0548
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...
-
ME700862
15944652
C20199
9.83
237.1128
3,4-Dihydroxyphenylethyleneglycol
3,4-Dihydroxyphenylglycol
ME700856
91528
C05576
8.1
169.0496
3,5,6,7,2',3',4'-Heptahydroxyflavone
-
ME700857
14376433
-
10.66
333.0224
3,5-Dinitroguaiacol
-
ME700858
14345197
C17101
11.35
213.0147
3,6-dioxo-decanoic acid_R1
3,6-Dioxo-decanoic acid
ME700859
5312880
-
9.23
199.0967
3,6-dioxo-decanoic acid_R2
3,6-Dioxo-decanoic acid
ME700860
5312880
-
9.47
199.0967
3,6-dioxo-decanoic acid_R3
3,6-Dioxo-decanoic acid
ME700861
5312880
-
9.58
199.0967
3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone_R1
-
ME700863
11111982
-
1.28
391.0159
3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone_R2
-
ME700864
11111982
-
2.03
391.016
3'-CMP
3'-CMP
ME700865
6131
C05822
1.65
322.0441
3E,5E-tridecadienoic acid_R1
3E,5E-Tridecadienoic acid
ME700866
5312396
-
11.79
209.1542
3E,5E-tridecadienoic acid_R2
3E,5E-Tridecadienoic acid
ME700867
5312396
-
11.13
209.1541
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
ME700868
54683777
C04604
10.43
196.0245
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
ME700869
86
C00632
14.25
152.0342
3-hydroxy-dodecanedioic acid_R1
3-Hydroxy-dodecanedioic acid
ME700870
16663321
-
8.95
245.1394
3-hydroxy-dodecanedioic acid_R2
3-Hydroxy-dodecanedioic acid
ME700871
16663321
-
9.89
245.1394
3-Methyl-2-oxobutanoic acid_R1
Ketoisovaleric acid
ME700872
49
C00141
4.59
115.0386
3-Methyl-2-oxobutanoic acid_R2
Ketoisovaleric acid
ME700873
49
C00141
7.11
115.0386
3-Oxododecanoic acid_R1
3-Oxododecanoic acid
ME700874
439717
C02367
12.01
213.1489
3-Oxododecanoic acid_R2
3-Oxododecanoic acid
ME700875
439717
C02367
11.25
213.1489
3S-bromobutanoic acid
-
ME700876
637089
-
0.72
164.9559
4,4'-Diaminostilbene dihydrochloride_R1
-
ME700877
11954176
C15452
13.01
281.0625
4,4'-Diaminostilbene dihydrochloride_R2
-
ME700878
11954176
C15452
12.53
281.0625
4,7-dioxo-octanoic acid
4,7-Dioxo-octanoic acid
ME700879
244084
-
8.88
171.0654
4-Chlorophenoxyacetate
-
ME700880
3794534
C07088
12.22
185
4-COUMARATE
cis-p-Coumaric acid
ME700881
637542
C06738
8.29
163.039
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME700882
500
C01035
1.87
144.0765
4-Heptyloxyphenol_R1
4-Heptyloxyphenol
ME700883
25641
C14236
11.13
207.1383
4-Heptyloxyphenol_R2
4-Heptyloxyphenol
ME700884
25641
C14236
12.33
207.1383
4-Heptyloxyphenol_R3
4-Heptyloxyphenol
ME700885
25641
C14236
11.77
207.1383
4-Hydroxybenzoate_R1
4-Hydroxybenzoic acid
ME700886
135
C00156
10.13
137.023
4-Hydroxybenzoate_R2
4-Hydroxybenzoic acid
ME700887
135
C00156
8.08
137.0231
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME700888
127
C00642
11.16
151.039
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME700889
128
C03680
1.38
155.0449
4-keto pentadecanoic acid
-
ME700890
5282993
-
12.75
255.1959
4'-Methoxychalcone
-
ME700891
641818
-
0.8
237.0912
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME700892
70
C00233
7.25
129.0545
4-Nitrophenol
4-Nitrophenol
ME700893
980
C00870
10.48
138.0184
4-Pyridoxate
4-Pyridoxic acid
ME700894
6723
C00847
6.05
182.0448
4-Pyridoxolactone
4-Pyridoxolactone
ME700895
151228
C00971
6.56
164.0342
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME700896
108214
C16365
0.79
225.0613
5-Amino-6-(5'-phosphoribosylamino)uracil
-
ME700897
439462
C01268
8.99
353.0485
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME700898
558
C03771
1.19
172.0716
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclop...
-
ME700899
5282868
-
13.02
353.2001
5-Hydroxyindoleacetylglycine
5-Hydroxyindoleacetylglycine
ME700900
440806
C05832
8.28
247.0738
5-Hydroxypentanoate_R1
5-Hydroxyvaleric acid
ME700901
5459830
C02804
4.36
117.0543
5-Hydroxypentanoate_R2
5-Hydroxyvaleric acid
ME700902
5459830
C02804
6.05
117.0543
5-O-Methylembelin
5-O-Methylembelin
ME700903
171489
C10373
13.9
307.1945
5-Oxo-1,2-campholide_R1
5-Oxo-1,2-campholide
ME700904
439864
C02952
10.68
181.0859
5-Oxo-1,2-campholide_R2
5-Oxo-1,2-campholide
ME700905
439864
C02952
11.26
181.0858
5-Oxo-1,2-campholide_R3
5-Oxo-1,2-campholide
ME700906
439864
C02952
10.39
181.0859
5-oxo-7-octenoic acid_R1
5-Oxo-7-octenoic acid
ME700907
5312943
-
9.97
155.0701
5-oxo-7-octenoic acid_R2
5-Oxo-7-octenoic acid
ME700908
5312943
-
10.32
155.0701
5-oxo-7-octenoic acid_R3
5-Oxo-7-octenoic acid
ME700909
5312943
-
8.53
155.0701
5-OXO-L-PROLINE
Pyroglutamic acid
ME700910
7405
C01879
1.93
128.034
5''-Phosphoribostamycin
-
ME700911
70678656
C18004
16.37
533.1822
6-(2-Chloroallylthio)purine
-
ME700912
3247797
C15397
1.3
224.9989
6-Benzylaminopurine
Cytokinin B
ME700913
62389
C11263
13.32
224.0925
6-Paradol
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone
ME700914
94378
C10482
13.36
277.1805
(6S,9R)-Vomifoliol_R1
(6S,9R)-Vomifoliol
ME700775
5280462
C01760
12.57
223.1331
(6S,9R)-Vomifoliol_R2
(6S,9R)-Vomifoliol
ME700776
5280462
C01760
11.8
223.1332
7-oxo-11E-Tetradecenoic acid
-
ME700915
44256505
-
13.74
239.165
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME700916
173
C01092
8.34
186.1124
8-Azaadenosine_R1
8-Azaadenosine
ME700917
96410
C11265
9.22
267.0847
8-Azaadenosine_R2
8-Azaadenosine
ME700918
96410
C11265
10.77
267.087
8-Epiiridotrial glucoside
8-Epiiridotrial glucoside
ME700919
155942
C11652
9.13
343.1398
9,12,13-TriHOME_R1
9,12,13-TriHOME
ME700920
9858729
C14833
11.15
329.2333
9,12,13-TriHOME_R2
9,12,13-TriHOME
ME700921
9858729
C14833
11.77
329.2333
9-Hydroxybenzo[a]pyrene-4,5-oxide
-
ME700922
115064
C14854
0.83
283.0777
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME700923
75704
C16322
10.1
171.1015
(9R,10R)-Dihydroxyoctadecanoic acid_R1
9,10-Dihydroxystearic acid
ME700777
12235228
C08314
13.07
315.2535
(9R,10R)-Dihydroxyoctadecanoic acid_R2
9,10-Dihydroxystearic acid
ME700778
12235228
C08314
12.89
315.2533
(9R,10R)-Dihydroxyoctadecanoic acid_R3
9,10-Dihydroxystearic acid
ME700779
12235228
C08314
12.61
315.2536
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid
8R-HODE
ME700782
5281117
C08318
14.74
295.2276
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid_R1
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid
ME700780
5281030
C07355
13.81
313.2388
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid_R2
(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid
ME700781
5281030
C07355
13.39
313.2383
Abscisate
Abscisic acid
ME700924
5280896
C06082
12.05
263.129
Acrylic acid
Acrylic acid
ME700925
6581
C00511
0.79
71.0124
Adenine_R1
Adenine
ME700926
190
C00147
1.77
134.0459
Adenine_R2
Adenine
ME700927
190
C00147
6.02
134.046
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME700930
6083
C00020
1.79
346.0553
Adenosine_R1
Adenosine
ME700928
60961
C00212
0.88
266.0878
Adenosine_R2
Adenosine
ME700929
60961
C00212
6.01
266.0897
ADP_R1
ADP
ME700931
6022
C00008
1.14
426.022
ADP_R2
ADP
ME700932
6022
C00008
13.88
426.0264
ADP-ribose
ADP-ribose
ME700933
192
C00301
1.18
558.0642
AL-321
-
ME700934
194620
C17303
11.92
354.1174
alpha,beta-Didehydrotryptophan
alpha,beta-Didehydrotryptophan
ME700935
5280990
C06732
0.97
201.0677
ALPHA-HYDROXYISOBUTYRIC ACID
2-Hydroxyisobutyric acid
ME700936
11671
-
2.33
103.0386
alpha-Oxo-benzeneacetic acid
Phenylglyoxylic acid
ME700937
11915
C02137
9.2
149.0233
Amitrole
Amitrole
ME700938
1639
C11261
1.08
83.0349
AMP_R1
AMP
ME700939
6083
C00020
2.86
346.0553
AMP_R2
AMP
ME700940
6083
C00020
5.92
346.0553
Anisatin
Anisatin
ME700941
115121
C09294
9.52
327.1088
Antimony trichloride
-
ME700942
24814
C15235
0.86
224.803
Apiole_R1
Apiole
ME700943
10659
C10429
11.55
221.0814
Apiole_R2
Apiole
ME700944
10659
C10429
9.65
221.0813
Arginine
Arginine
ME700945
6322
C00062
0.79
173.1032
Artonol C
Artonol C
ME700946
10839101
-
12.51
499.1713
Aspartic acid
Aspartic acid
ME700947
5960
C16433
0.74
132.029
Aspulvinone H
Aspulvinone H
ME700948
25245780
C02008
12.51
431.1832
Aucubin_R1
Aucubin
ME700949
91458
C09771
8.9
345.1184
Aucubin_R2
Aucubin
ME700950
91458
C09771
8.5
345.1184
Azelaic acid
Azelaic acid
ME700951
2266
C08261
9.34
187.0965
Bakkenolide A_R1
Bakkenolide A
ME700952
442173
C09350
14.33
233.1545
Bakkenolide A_R2
Bakkenolide A
ME700953
442173
C09350
13.7
233.1545
Bakkenolide A_R3
Bakkenolide A
ME700954
442173
C09350
14.06
233.1545
Benzamide
Benzamide
ME700955
2331
C09815
6.56
120.044
BENZOATE
Benzoic acid
ME700956
243
C00180
8.72
121.0281
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
-
ME700957
440386
C04561
11.77
207.1021
beta-Cymaropyranose
beta-Cymaropyranose
ME700958
441417
C08234
6.85
161.0808
Boscalid
-
ME700959
213013
C18547
0.71
341.0254
Botrydial
Botrydial
ME700960
185781
C09622
12.3
309.171
Butopyronoxyl
-
ME700961
10760
C19142
10.57
225.1126
Calcium salicylate
-
ME700962
517068
C19600
13.25
313.0052
Catechin 5,7,3'-trimethyl ether
-
ME700963
11067541
-
12.05
331.1155
CerP(d18:1/2:0)
CerP 18:1;O2/2:0
ME700964
15199918
-
12.66
420.2498
Chaparrinone
Chaparrinone
ME700965
73154
C08757
12.3
377.1575
Chinomethionat
Quinomethionate
ME700966
17109
C14514
11.35
232.985
Chloroacetic acid
-
ME700967
300
C06755
1.81
92.9734
Choline phosphate
Choline phosphate
ME700968
135437
C00588
8.03
183.0654
Chrysoidine free base_R1
-
ME700969
10317
C14617
10.56
211.097
Chrysoidine free base_R2
-
ME700970
10317
C14617
10.19
211.097
Chymostatin
Chymostatin
ME700971
443119
C11308
12.72
606.3019
CI Basic red 9
-
ME700972
11292
C19210
1.11
322.1138
cis-1,2-Dihydro-3-ethylcatechol
cis-1,2-Dihydro-3-ethylcatechol
ME700973
441155
C06727
8.03
139.0752
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate_R1
-
ME700974
9543088
C06579
9.52
197.0811
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate_R2
-
ME700975
9543088
C06579
9.09
197.0811
cis-2-Carboxycyclohexyl-acetic acid_R1
cis-2-Carboxycyclohexyl-acetic acid
ME700976
656884
C14112
8.57
185.0812
cis-2-Carboxycyclohexyl-acetic acid_R2
cis-2-Carboxycyclohexyl-acetic acid
ME700977
656884
C14112
9.04
185.0812
CITRAMALATE
Citramalic acid
ME700978
1081
C00815
2.32
147.0286
Clionamide
-
ME700979
23424664
C17092
2.04
430.0385
CMP
CMP
ME700980
6131
C00055
1.13
322.044
Coenzyme B
Coenzyme B
ME700981
5462265
C04628
7.79
342.0767
Coniferyl alcohol_R1
Coniferyl alcohol
ME700982
1549095
C00590
11.27
179.0706
Coniferyl alcohol_R2
Coniferyl alcohol
ME700983
1549095
C00590
11.73
179.0706
Copper gluconate_R1
-
ME700984
10692
C12278
2.04
452.0208
Copper gluconate_R2
-
ME700985
10692
C12278
3.65
452.0206
Creatine-D3
Creatine
ME700986
-
-
0.97
133.0798
Cucurbic acid_R1
Cucurbic acid
ME700987
5281159
C08482
12.23
211.1334
Cucurbic acid_R2
Cucurbic acid
ME700988
5281159
C08482
12.6
211.1334
Cyanuric acid
Cyanuric acid
ME700989
7956
C06554
1.15
128.0089
Cycloheptanecarboxylic acid
Cycloheptanecarboxylic acid
ME700990
15091
C12104
9.01
141.0908
Cys-Gly
Cys-Gly
ME700991
65270
C01419
1
177.0331
CYTIDINE
Cytidine
ME700992
6175
C00475
1.84
242.0777
D-2-Hydroxyisocaproate_R1
D-Leucic acid
ME700995
439960
C03264
7.74
131.0701
D-2-Hydroxyisocaproate_R2
D-Leucic acid
ME700996
439960
C03264
7.06
131.0701
D-2-Hydroxyisocaproate_R3
D-Leucic acid
ME700997
439960
C03264
7.18
131.0701
D-(-)-3-PHOSPHOGLYCERIC ACID
3-Phosphoglyceric acid
ME700993
724
C00597
0.72
184.9846
D-Arabinono-1,4-lactone
D-Arabinono-1,4-lactone
ME700998
17723
C00652
0.83
147.0286
D-(-)-ARABINOSE
Arabinose
ME700994
66308
-
0.86
149.0444
Decarbamoylsaxitoxin_R1
-
ME700999
24941628
C20021
11.09
255.1214
Decarbamoylsaxitoxin_R2
-
ME701000
24941628
C20021
11.89
255.1233
Decarbamoylsaxitoxin_R3
-
ME701001
24941628
C20021
12.37
255.1235
Dehydrojuvabione
Dehydrojuvabione
ME701002
85259
C09657
13.06
263.1654
Dehydrovomifoliol
Dehydrovomifoliol
ME701003
688492
C02533
11.65
221.118
Deoxyribose_R1
Deoxyribose
ME701004
5460005
C01801
1.58
133.0493
Deoxyribose_R2
Deoxyribose
ME701005
5460005
C01801
2.31
133.0493
Depdecin_R1
Depdecin
ME701006
5283267
-
9.64
227.0921
Depdecin_R2
Depdecin
ME701007
5283267
-
9.51
227.0906
Dephospho-CoA
3'-Dephospho-CoA
ME701008
444485
C00882
6.85
686.1427
D-Erythrose_R1
Erythrose
ME701009
94176
C01796
2.33
119.0337
D-Erythrose_R2
Erythrose
ME701010
94176
C01796
0.79
119.0337
D-Erythrose_R3
Erythrose
ME701011
94176
C01796
1.71
119.0337
D-Erythrose_R4
Erythrose
ME701012
94176
C01796
1.31
119.0337
Dexamethasone sodium phosphate
-
ME701013
16961
C08175
11.28
515.122
D-Glucono-1,5-lactone
Gluconolactone
ME701014
7027
C00198
0.83
177.0396
Dichloroacetate
Dichloroacetic acid
ME701015
25975
C11149
1.5
126.9346
Dichotosin_R1
Dichotosin
ME701016
44257198
-
12.02
447.1654
Dichotosin_R2
Dichotosin
ME701017
44257198
-
11.56
447.1654
Dichotosin_R3
Dichotosin
ME701018
44257198
-
12.36
447.1654
Dihydro-4,4-dimethyl-2,3-furandione_R1
2-Dehydropantolactone
ME701019
39
C01125
7.87
127.0387
Dihydro-4,4-dimethyl-2,3-furandione_R2
2-Dehydropantolactone
ME701020
39
C01125
7.47
127.0387
Dihydro-4,4-dimethyl-2,3-furandione_R3
2-Dehydropantolactone
ME701021
39
C01125
7.08
127.0387
Dihydrolipoate
(R)-Dihydrolipoic acid
ME701022
421
C02147
0.85
207.0503
Diisopropyl phthalate
-
ME701023
11799
C14468
11.64
249.1133
Dinoseb
2-(1-Methylpropyl)-4,6-dinitrophenol
ME701024
6950
C14302
14.46
239.0668
Dithranol
Anthralin
ME701025
2202
C06831
11.83
225.055
D-Lysopine
D-Lysopine
ME701026
193187
C04020
6.73
217.1189
D-myo-Inositol 1,2-cyclic phosphate
Inositol cyclic phosphate
ME701027
122331
C04299
0.71
241.0113
Dodecanedioic acid
Dodecanedioic acid
ME701028
12736
C02678
11.11
229.144
D-RIBOSE 5-PHOSPHATE
Ribose 5-phosphate
ME701029
439167
C00117
0.74
229.0116
D-SORBITOL
Sorbitol
ME701030
453
C00794
0.77
181.0708
EDTA_R1
Edetic acid
ME701031
6049
C00284
0.98
291.0836
EDTA_R2
Edetic acid
ME701032
6049
C00284
9.97
291.0824
Endothal-disodium
-
ME701033
8519
C18724
13.76
229.0091
Enhydrin_R1
-
ME701034
5281441
C09405
11.47
463.161
Enhydrin_R2
-
ME701035
5281441
C09405
10.77
463.161
Ethyl 3-(N-butylacetamido)propionate
-
ME701040
104150
C18830
9.56
214.1441
Ethyl 3-oxohexanoate
Ethyl 3-oxohexanoate
ME701041
238498
C02975
8.94
157.086
Ethyl(E,Z)-decadienoate
-
ME701044
5281162
C08486
12.87
195.1379
Ethyl (R)-3-hydroxyhexanoate_R1
Ethyl (R)-3-hydroxyhexanoate
ME701036
440150
C03864
9.4
159.1014
Ethyl (R)-3-hydroxyhexanoate_R2
Ethyl (R)-3-hydroxyhexanoate
ME701037
440150
C03864
9.63
159.1014
Ethyl (R)-3-hydroxyhexanoate_R3
Ethyl (R)-3-hydroxyhexanoate
ME701038
440150
C03864
9.96
159.1014
Ethyl (R)-3-hydroxyhexanoate_R4
Ethyl (R)-3-hydroxyhexanoate
ME701039
440150
C03864
10.37
159.1014
Ethyl tiglate_R1
Ethyl tiglate
ME701042
5281163
C08487
8.88
127.0751
Ethyl tiglate_R2
Ethyl tiglate
ME701043
5281163
C08487
8.17
127.0751
Euparotin acetate_R1
Euparotin acetate
ME701045
5281456
C09435
10.81
417.1554
Euparotin acetate_R2
Euparotin acetate
ME701046
5281456
C09435
11.3
417.1554
Euparotin acetate_R3
Euparotin acetate
ME701047
5281456
C09435
11.47
417.1555
Fenamiphos
Fenamiphos
ME701048
31070
C18659
0.82
302.1005
Ferimzone_R1
Ferimzone
ME701049
9013425
C18579
11.79
253.1445
Ferimzone_R2
Ferimzone
ME701050
9013425
C18579
11.13
253.1445
Flavanone 7-O-beta-D-glucoside
-
ME701051
440195
C04007
12.48
401.1229
FMN
FMN
ME701052
643976
C00061
0.95
455.1015
Fructoselysine 6-phosphate
Fructoselysine 6-phosphate
ME701053
50909832
C16489
0.92
387.1145
Furfural diethyl acetal_R1
-
ME701054
83553
C14280
10.44
169.0859
Furfural diethyl acetal_R2
-
ME701055
83553
C14280
9.23
169.0858
Furfural diethyl acetal_R3
-
ME701056
83553
C14280
9.41
169.0858
Furfural diethyl acetal_R4
-
ME701057
83553
C14280
9.92
169.0858
Furmecyclox
Furmecyclox
ME701058
43359
C18912
15.38
250.1449
GDP
GDP
ME701059
8977
C00035
1.3
442.0173
Gemfibrozil_R1
Gemfibrozil
ME701060
3463
C07020
15.07
249.1497
Gemfibrozil_R2
Gemfibrozil
ME701061
3463
C07020
12.67
249.1494
Gibberellin A19_R1
-
ME701062
25200921
C02034
12.24
361.163
Gibberellin A19_R2
-
ME701063
25200921
C02034
12.89
361.1636
Gibberellin A19_R3
-
ME701064
25200921
C02034
13.26
361.1636
Gibberellin A19_R4
-
ME701065
25200921
C02034
13.43
361.1659
GLUCONIC ACID
Gluconic acid
ME701066
10690
C00257
0.83
195.05
Glucose 6-phosphate/Fructose 6-phosphate
Glucose 6-phosphate
ME701067
-
C00085
0.71
259.022
Glucose/Fructose [M+Cl]-
Hexose
ME701068
-
C00293/C01496
0.77
215.0319
Glutamine
Glutamine
ME701069
5961
C00303
0.79
145.0608
Glutarate_R1
Glutaric acid
ME701070
743
C00489
0.8
131.0338
Glutarate_R2
Glutaric acid
ME701071
743
C00489
6.32
131.0338
Glutarate_R3
Glutaric acid
ME701072
743
C00489
5.04
131.0337
GLUTATHIONE
Glutathione
ME701073
124886
C00051
1.7
306.0763
GLYCERALDEHYDE
Glyceraldehyde
ME701074
751
C02154
1.3
89.0228
GLYCERATE
Glyceric acid
ME701075
439194
C00258
0.89
105.018
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME701076
439964
C03274
0.78
245.043
GMP_R1
GMP
ME701077
6804
C00144
2.04
362.051
GMP_R2
GMP
ME701078
6804
C00144
3.64
362.051
Gossypin
Gossypin
ME701079
5281621
C10051
14.96
479.0814
Granisetron_R1
-
ME701080
3510
C07023
12.8
311.1866
Granisetron_R2
-
ME701081
3510
C07023
11.9
311.1863
GUANINE
Guanine
ME701082
764
C00242
1.68
150.0409
Guanosine
Guanosine
ME701083
6802
C00387
6.38
282.0842
Hercynine
Hercynine
ME701084
5459798
C05575
12
197.1173
Histidylleucine
His-Leu
ME701085
189008
C05010
12.48
267.1439
Hydroiodic acid
-
ME701086
24841
C05590
0.85
126.9037
Hydroxymethylphosphonate
Hydroxymethylphosphonic acid
ME701087
75795
C06455
0.72
110.984
HYPOXANTHINE
Hypoxanthine
ME701088
790
C00262
2.18
135.03
Ibutilide
Ibutilide
ME701089
60753
C07753
13.07
383.241
Imazosulfuron
-
ME701090
92433
C18443
13.89
411.0316
INOSINE 5'-PHOSPHATE
IMP
ME701093
8582
C00130
1.94
347.0395
Inosine_R1
Inosine
ME701091
6021
C00294
6.27
267.0734
Inosine_R2
Inosine
ME701092
6021
C00294
0.93
267.0724
Isosorbide dinitrate
Isosorbide Dinitrate
ME701094
6883
C07456
7.18
235.0195
karalicin_R1
-
ME701095
-
-
8.59
283.1184
karalicin_R2
-
ME701096
-
-
8.77
283.1184
L-2,3-Dihydrodipicolinate
-
ME701097
5460228
C03340
10.7
168.0293
Lasiocarpine
-
ME701098
6321388
C10341
12.66
410.2221
L-Cladinose_R1
L-Cladinose
ME701099
5460588
C11917
7.21
175.0964
L-Cladinose_R2
L-Cladinose
ME701100
5460588
C11917
11.23
175.0964
Leupeptin
Leupeptin
ME701101
189069
C01591
15.88
425.2912
L-Homocystine_R1
Homocystine
ME701102
439579
C01817
7.74
267.0464
L-Homocystine_R2
Homocystine
ME701103
439579
C01817
3.04
267.0476
Lichenin_R1
Lichenin
ME701104
-
C00478
0.79
161.0444
Lichenin_R2
Lichenin
ME701105
-
C00478
5.86
161.0444
L-Tyrosine methyl ester
Methyl tyrosinate
ME701106
70652
C03404
13.45
194.0815
(+)-Luguine
-
ME700770
442317
C09575
0.87
334.0754
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME701107
439447
C01223
10.39
213.1128
Monomethyl sulfate
Methyl sulfate
ME701108
6412
C02704
0.89
110.9743
MYO-INOSITOL
Myo-inositol
ME701109
892
C00137
0.79
179.0553
N-(6-Aminohexanoyl)-6-aminohexanoate
-
ME701110
5245705
C01255
8.38
243.1709
N-Acetyl-4-O-acetylneuraminate
-
ME701111
440197
C04015
1.86
350.1096
N-ACETYL-D-GLUCOSAMINE
N-Acetylglucosamine
ME701112
439174
C00140
0.88
220.0824
N-ACETYL-DL-SERINE
N-Acetylserine
ME701113
352294
-
1.13
146.0447
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME701114
439281
-
0.85
256.0593
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME701115
65065
C01042
1.54
174.0397
N-Acetyl-L-leucine
N-Acetylleucine
ME701116
75619
C02710
11.38
172.0968
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME701117
439197
C00270
0.83
308.0988
Nalbuphine_R1
Nalbuphine
ME701118
5311304
C07251
16.03
356.187
Nalbuphine_R2
Nalbuphine
ME701119
5311304
C07251
15.59
356.187
N-Benzoyl-4-methoxyanthranilate
-
ME701120
9548581
C04208
11.43
270.0782
Nevirapine
Nevirapine
ME701121
4463
C07263
14.12
265.1079
Nidificene
Nidificene
ME701122
14865953
C17116
11.5
394.9762
Nifuradene
-
ME701123
9568055
C19272
0.81
223.0454
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME701124
22880
C12269
0.81
146.0447
Norethindrone acetate_R1
Norethisterone acetate
ME701125
5832
C08152
13.72
339.1996
Norethindrone acetate_R2
Norethisterone acetate
ME701126
5832
C08152
14.06
339.1996
OROTATE
Orotic acid
ME701127
967
C00295
1.25
155.0088
Oxaloglutarate
2-Oxaloglutaric acid
ME701128
440718
C05533
2.18
203.018
Paeoniflorigenone
-
ME701129
133475
C17453
11.64
317.1009
PC(15:0/0:0)
LPC 15:0/0:0
ME701130
-
-
14.58
480.3096
PC(15:0/18:2(9Z,12Z))
PC 15:0/18:2(9Z,12Z)*
ME701131
-
-
16.9
742.5365
PC(15:1(9Z)/0:0)_R1
PC 15:1(9Z)/0:0
ME701132
-
-
13.53
478.2941
PC(15:1(9Z)/0:0)_R2
PC 15:1(9Z)/0:0
ME701133
-
-
13.18
478.2941
PC(15:1(9Z)/0:0)_R3
PC 15:1(9Z)/0:0
ME701134
-
-
12.78
478.2944
PC(16:0/5:0(CHO))
-
ME701135
-
-
13.93
592.3612
PE(18:2(9Z,12Z)/0:0)
PE 18:2(9Z,12Z)/0:0*
ME701136
-
-
13.01
476.2787
PE(20:3(8Z,11Z,14Z)/0:0)
PE 20:3(8Z,11Z,14Z)/0:0*
ME701137
-
-
13.42
502.2932
PG(18:1(9Z)/0:0)
PG 18:1(9Z)/0:0
ME701138
-
-
13.16
509.2889
Phenazopyridine
Phenazopyridine
ME701139
4756
C07429
11.56
212.0921
Phenelzine sulfate
-
ME701140
61100
C07431
7.75
233.0583
Phenyl acetate
Phenyl acetate
ME701141
31229
C00548
10.6
135.0438
Phenylpyruvate
Phenylpyruvic acid
ME701142
997
C00166
9.49
163.039
Phosphoagmatine
-
ME701143
72734288
C02726
9.34
209.0788
Phosphonic acid
-
ME701144
3084169
C06701
0.73
80.9734
Phthalate
Phthalic acid
ME701145
1017
C01606
8.33
165.0181
Phytuberin_R1
Phytuberin
ME701146
442387
C09709
12.89
293.1757
Phytuberin_R2
Phytuberin
ME701147
442387
C09709
12.24
293.1757
Phytuberin_R3
Phytuberin
ME701148
442387
C09709
13.27
293.1756
Pimelate_R1
Pimelic acid
ME701149
385
C02656
8
159.0652
Pimelate_R2
Pimelic acid
ME701150
385
C02656
6.41
159.0653
Pimelate_R3
Pimelic acid
ME701151
385
C02656
6.74
159.0652
Potassium bicarbonate
-
ME701152
516893
C18606
1.02
98.9476
Propanoyl phosphate
Propanoyl phosphate
ME701153
1034
C02876
0.8
152.9943
Prostaglandin H2
PGH2
ME701154
445049
C00427
14.23
351.2211
PS(16:1(9Z)/0:0)
PS 16:1(9Z)/0:0
ME701155
-
-
12.26
494.252
PS(17:0/0:0)
LPS 17:0/0:0*
ME701156
-
-
11.87
510.2827
PS(18:1(9Z)/0:0)
PS 18:1(9Z)/0:0
ME701157
-
-
13.08
522.2844
PS(19:0/0:0)
LPS 19:0/0:0
ME701158
-
-
12.71
538.316
PS(19:1(9Z)/0:0)
PS 19:1(9Z)/0:0
ME701159
-
-
12.31
536.299
PS(20:3(8Z,11Z,14Z)/0:0)
PS 20:3(8Z,11Z,14Z)/0:0*
ME701160
-
-
13.53
546.2814
PS(20:4(5Z,8Z,11Z,14Z)/0:0)
PS 20:4(5Z,8Z,11Z,14Z)/0:0*
ME701161
-
-
13.07
544.2645
PS(21:0/0:0)
LPS 21:0/0:0
ME701162
-
-
13.65
566.3456
Purine mononucleotide
-
ME701163
444450
C05325
11.92
331.0426
Pyridoxal
Pyridoxal
ME701164
1050
C00250
2.2
166.0498
(R)-2-Hydroxystearate_R1
2-Hydroxystearic acid
ME700783
21145040
C03042
14.44
299.2594
(R)-2-Hydroxystearate_R2
2-Hydroxystearic acid
ME700784
21145040
C03042
14.58
299.2594
Radium-226
-
ME701165
9877911
C16456
2.97
225.0165
Rishitin
Rishitin
ME701166
108064
C09715
14.12
221.1539
(R)-MALATE
D-Malic acid
ME700785
92824
C00497
1.08
133.0129
(R)-Mevalonate_R1
Mevalonic acid
ME700786
5288798
C00418
3.96
147.0649
(R)-Mevalonate_R2
Mevalonic acid
ME700787
5288798
C00418
5.12
147.0649
(R)-Mevalonate_R3
Mevalonic acid
ME700788
5288798
C00418
2.88
147.0649
Sakuranin
Sakuranin
ME701167
348162
C17391
11.28
447.1341
Salidroside_R1
4-Hydroxyphenyl-2-ethylglucopyranoside
ME701168
159278
C06046
8.88
299.1134
Salidroside_R2
4-Hydroxyphenyl-2-ethylglucopyranoside
ME701169
159278
C06046
8.49
299.1134
Salvinorin A
-
ME701170
128563
C20196
12.18
431.1701
Scytalone
Scytalone
ME701171
3477029
C00779
10.89
193.0496
Sebacic acid
Sebacic acid
ME701172
5192
C08277
9.97
201.1123
Shikimate_R1
Shikimic acid
ME701173
8742
C00493
6.64
173.0444
Shikimate_R2
Shikimic acid
ME701174
8742
C00493
2.03
173.0444
(S)-Malate
Malic acid
ME700789
222656
C00149
2.36
133.0129
sn-Glycero-3-phospho-1-inositol
sn-Glycero-3-phosphoinositol
ME701175
45480545
C01225
3.05
333.057
Sodium citrate
-
ME701176
6224
C13249
1.3
292.9865
Stipitatate
Stipitatic acid
ME701177
20501
C01853
8.56
181.0131
Suberic acid_R1
Suberic acid
ME701178
10457
C08278
8.68
173.0811
Suberic acid_R2
Suberic acid
ME701179
10457
C08278
7.6
173.0811
SUCCINATE
Succinic acid
ME701180
1110
C00042
2.4
117.018
Succinic anhydride
Succinic anhydride
ME701181
7922
C19524
11.92
99.0074
SUCROSE
Sucrose
ME701182
5988
C00089
0.95
341.1083
Sulfasalazine
Sulfasalazine
ME701183
5353980
C07316
6.34
397.0637
Terpendole G
-
ME701184
10411534
C20586
12.65
450.2622
Tetraneurin A_R1
Tetraneurin A
ME701185
174868
C09559
11.79
321.1317
Tetraneurin A_R2
Tetraneurin A
ME701186
174868
C09559
11.13
321.1318
Threonate
Threonic acid
ME701187
5460407
C01620
2.25
135.0285
Threonine
Threonine
ME701188
6288
C00188
0.79
118.0495
Thymyl acetate_R1
Thymol acetate
ME701189
68252
C09909
12.71
191.1067
Thymyl acetate_R2
Thymol acetate
ME701190
68252
C09909
12.2
191.1067
trans-4-Hydroxycyclohexanecarboxylate_R1
4-Hydroxycyclohexylcarboxylic acid
ME701191
19034555
C04404
8.69
143.0702
trans-4-Hydroxycyclohexanecarboxylate_R2
4-Hydroxycyclohexylcarboxylic acid
ME701192
19034555
C04404
7.72
143.0702
Transfluthrin
Transfluthrin
ME701193
656612
C13410
1.07
369.0052
Traumatic acid_R1
Traumatic acid
ME701194
5283028
C16308
11.66
227.1283
Traumatic acid_R2
Traumatic acid
ME701195
5283028
C16308
10.72
227.1283
Tryptophan-2,3,3-D3
Tryptophan
ME701196
-
-
7.79
206.1009
UDP-N-acetyl-alpha-D-glucosamine
UDP-N-acetylglucosamine
ME701197
16667373
C00043
0.96
606.0742
UMP_R1
UMP
ME701198
6030
C00105
1.28
323.0287
UMP_R2
UMP
ME701199
6030
C00105
2.04
323.0287
Undecanedioic acid
Undecanedioic acid
ME701200
15816
-
10.56
215.1284
URIDINE
Uridine
ME701201
6029
C00299
3.05
243.0622
Urocanate
Urocanic acid
ME701202
1549103
C00785
3.4
137.0344
Xanthosine 5'-phosphate
XMP
ME701203
73323
C00655
13.89
363.0315
Zingerone_R1
Zingerone
ME701204
31211
C17497
12.79
193.086
Zingerone_R2
Zingerone
ME701205
31211
C17497
10.55
193.086
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