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Return to study ST000294 main page
Analysis: ESI Positive mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Methylpropanamine
-
ME107732
6558
C02787
0.03
74.0972
L-Valine_2
Valine
ME107866
6287
C00183
0.03
118.0867
2-Thiophenesulfonamide
-
ME107735
72881
C14764
0.14
163.9838
3-Phosphonooxypyruvate
Phosphohydroxypyruvic acid
ME107745
5460375
C03232
0.15
184.9857
Acetyl phosphate
Acetylphosphate
ME107762
186
C00227
0.15
140.996
Anthocyanin
Anthocyanin
ME107769
145858
C15549
0.55
208.0871
SPERMIDINE
Spermidine
ME107917
1102
C00315
0.55
146.1652
PUTRESCINE
Putrescine
ME107910
1045
C00134
0.56
89.108
Methyl methanesulfonate
Methyl methanesulfonate
ME107870
4156
C19181
0.58
111.01
3-Chloro-D-alanine
3-Chloro-D-alanine
ME107740
439771
C02634
0.6
124.0153
Cadaverine
Cadaverine
ME107788
273
C01672
0.62
103.1236
HISTAMINE
Histamine
ME107830
774
C00388
0.62
112.0874
L-LYSINE
Lysine
ME107852
5962
C00047
0.63
147.113
2-Aceto-2-hydroxybutanoate_2
2-Acetolactate
ME107725
21
C00659
0.64
147.0662
Trientine
Trientine
ME107927
5565
C07166
0.64
147.1613
2,4-Diamino-6-nitrotoluene
-
ME107718
96177
C16396
0.67
168.0769
2,5-Dichloro-4-oxohex-2-enedioate_1
2,5-Dichloro-4-oxohex-2-enedioate
ME107720
5282172
C12835
0.68
226.9516
L-HISTIDINE
Histidine
ME107849
6274
C00135
0.68
156.077
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate
(S)-1-Piperideine-6-carboxylic acid
ME107702
24771808
C00450
0.68
128.071
TAURINE
Taurine
ME107922
1123
C00245
0.68
126.0226
1,4-Dithiane
1,4-Dithiane
ME107706
10452
C01871
0.69
121.0151
4-Aminobiphenyl
4-Aminobiphenyl
ME107748
7102
C10998
0.69
170.0966
Debrisoquin_1
Debrisoquine
ME107798
2966
C13650
0.69
176.1189
Debrisoquin_2
Debrisoquine
ME107799
2966
C13650
0.69
176.1166
L-ARGININE
Arginine
ME107839
6322
C00062
0.69
175.1194
L-Arginine phosphate
Arginine phosphate
ME107840
92150
C05945
0.69
255.0851
Tromethamine
2-Amino-2-methylol-propane-1,3-diol
ME107929
6503
C07182
0.69
122.0815
9,10-Phenanthroquinone
9,10-Phenanthroquinone
ME107759
6763
C03243
0.7
209.0613
L-ASPARAGINE
Asparagine
ME107841
6267
C00152
0.7
133.0606
L-ASPARTATE
Aspartic acid
ME107842
5960
C00049
0.7
134.045
sn-Glycero-3-phospho-1-inositol
sn-Glycero-3-phosphoinositol
ME107914
45480545
C01225
0.7
335.0739
sn-Glycero-3-phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME107915
444183
C01233
0.7
216.0631
TRANS-4-HYDROXYPROLINE
trans-4-Hydroxyproline
ME107925
11137200
C04397
0.7
130.0501
BETA-ALANINE
beta-Alanine
ME107776
239
C00099
0.71
90.0557
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME107883
440120
C03793
0.71
189.1598
Orthophosphate
Phosphoric acid
ME107892
-
C00009
0.71
98.9849
SN-GLYCEROL 3-PHOSPHATE
sn-Glycero-3-phosphate
ME107916
439162
C00093
0.71
173.0212
ETHANOLAMINE PHOSPHATE
Phosphoethanolamine
ME107810
1015
C00346
0.72
142.026
Fluoroacetate_1
Fluoroacetic acid
ME107815
5236
C06108
0.72
79.0186
GLYCINE
Glycine
ME107825
750
C00037
0.72
76.0401
Phenylacetaldehyde
Phenylacetaldehyde
ME107897
998
C00601
0.72
121.0652
PHOSPHOCHOLINE
Choline phosphate
ME107900
135437
-
0.72
184.0734
(R)-Mevalonate
Mevalonic acid
ME107701
439230
C00418
0.72
149.0821
L-GLUTAMINE
Glutamine
ME107848
5961
C00064
0.73
147.0766
L-THREONINE
Threonine
ME107861
6288
C00188
0.73
120.0658
MANNOSE
Mannose
ME107868
18950
C00159
0.74
203.0528
2,3-Dimethylmaleate
Dimethyl maleate
ME107717
3032309
C00922
0.76
145.0497
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME107888
22880
C12269
0.76
148.0606
trans-Cinnamate
trans-Cinnamic acid
ME107926
444539
C00423
0.76
149.0602
4-Guanidinobutanal
4-Guanidinobutanal
ME107751
559
C02647
0.77
130.0977
Propanoate
Propionic acid
ME107905
1032
C00163
0.77
75.0449
Protoanemonin
Protoanemonin
ME107907
66948
C07090
0.77
97.0291
Glycerol
Glycerol
ME107824
753
C00116
0.78
93.0553
GLYCEROL
Glycerol
ME107823
753
C00116
0.78
115.0371
L-Methionine S-oxide
Methionine sulfoxide
ME107854
158980
C02989
0.78
166.0534
N-Acetyl-L-histidine
N-Acetylhistidine
ME107877
75619
C02997
0.78
198.0891
N-Methylethanolamine phosphate_1
N-Methylethanolamine phosphate
ME107889
25201132
C01210
0.78
156.0423
Tolmetin sodium
-
ME107924
23665411
C02328
0.78
280.0916
1,2,3-Trihydroxybenzene
1,2,3-Trihydroxybenzene
ME107703
1057
C01108
0.79
127.0393
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME107749
119
C00334
0.79
104.0711
4-Hydroxy-2-butynal
4-Hydroxybut-2-ynal
ME107753
439778
C02648
0.79
85.0291
Amoxicillin
Amoxicillin
ME107767
33613
C06827
0.79
366.109
Homoarginine
Homoarginine
ME107831
9085
C01924
0.79
189.135
SUCROSE
Sucrose
ME107920
5988
C00089
0.79
365.1052
Lichenin
Lichenin
ME107850
439241
C00478
0.8
163.0592
S-(2-Chloroethyl)glutathione
-
ME107912
3034823
C20304
0.8
370.0836
2,2-Dichloro-1,1-ethanediol_2
-
ME107715
85275
C14860
0.82
130.9655
DIMBOA
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
ME107804
2358
C04720
0.82
212.0534
Pulcherriminic acid
Pulcherriminic acid
ME107909
3083664
C20515
0.83
257.1471
N,N'-Diacetylhydrazine
-
ME107874
72884
C16622
0.84
117.0664
L-PROLINE
Proline
ME107860
145742
C00148
0.85
116.071
5,6-Dihydrothymine
Dihydrothymine
ME107757
93556
C00906
0.87
129.0663
CREATINE
Creatine
ME107795
586
C00300
0.91
132.0769
Trimethylamine N-oxide
Trimethylamine N-oxide
ME107928
1145
C01104
0.92
76.0765
CREATININE
Creatinine
ME107796
588
C00791
0.93
114.0667
1,2,6-Hexanetriol_2
-
ME107705
7823
C20334
0.95
135.1005
L-CARNITINE
Carnitine
ME107843
288
-
0.96
162.1126
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME107754
96215
C02835
0.98
127.0504
N-Acetylornithine
N-Acetylornithine
ME107880
439232
C00437
0.98
175.1079
Bufadienolide
-
ME107786
-
C16921
10.09
355.2635
Metominostrobin
-
ME107871
5483872
C18559
10.09
285.1226
Ethylenethiourea_1
-
ME107813
2723650
C14398
10.15
103.0321
Arg-OEt
Ethyl arginate
ME107770
439495
C01404
1.02
203.1503
Succinimide
Succinimide
ME107919
11439
C07273
1.02
100.0399
Dichloromethane_2
Dichloromethane
ME107803
6344
C02271
1.03
84.9604
2,5-Furandicarboxylate
-
ME107723
76720
C20450
1.06
157.0126
Indole
Indole
ME107834
798
C00463
1.07
118.0654
L-Valine_1
Valine
ME107865
6287
C00183
1.07
118.0866
Ethylenethiourea_2
-
ME107814
2723650
C14398
10.79
103.0321
8-Deoxylactucin
Deoxylactucin
ME107758
442196
C09392
11.06
261.1097
9,12,13-TriHOME
9,12,13-TriHOME
ME107760
9858729
C14833
11.09
331.248
L-Pipecolate
Pipecolic acid
ME107859
439227
C00408
1.11
130.0865
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME107881
122356
C02714
1.11
131.1181
Nicotinamide
Niacinamide
ME107886
936
C00153
1.12
123.0555
2-(6'-Methylthio)hexylmalic acid
-
ME107713
44237240
C17226
1.13
265.1119
2-Hydroxyfelbamate
2-Hydroxyfelbamate
ME107730
10400039
C16582
1.14
255.0974
3-Methyladenine
3-Methyladenine
ME107744
1673
C00913
1.14
150.0774
L-Cysteate
Cysteic acid
ME107844
7140381
C00506
1.14
170.0125
Monodehydroascorbate
-
ME107872
-
C01041
1.14
176.0299
4-(beta-Acetylaminoethyl)imidazole
N-Acetylhistamine
ME107746
69602
C05135
1.15
154.0976
Adenine
Adenine
ME107763
190
C00147
1.15
136.062
AMP
AMP
ME107768
6083
C00020
1.15
348.0706
Nicotinate
Nicotinic acid
ME107887
938
C00253
1.15
124.0396
Prostaglandin H2
PGH2
ME107906
445049
C00427
11.68
353.23
L-Methionine
Methionine
ME107853
6137
C00073
1.19
150.0584
Dipropyl disulfide
Dipropyl disulfide
ME107805
12377
C08373
1.21
151.0619
Buddledin A_2
Buddledin A
ME107785
5281514
C09623
12.13
277.1798
Botrydial
Botrydial
ME107782
185781
C09622
12.19
311.1849
1-Octanal
Caprylaldehyde
ME107712
454
C01545
12.37
129.1277
Aminoacetone_2
Aminoacetone
ME107766
215
C01888
12.47
74.0608
Dodecanamide
Dodecanamide
ME107806
14256
C13831
12.52
200.2008
(-)-Menthyl acetate
Menthyl acetate
ME107697
27867
C09870
12.59
199.1695
Terpendole G
-
ME107923
10411534
C20586
12.73
452.2771
Magnoshinin
Magnoshinin
ME107867
135783
C10658
12.78
415.2119
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME107879
74839
C03519
12.78
208.0988
Phytuberin
Phytuberin
ME107901
442387
C09709
12.78
295.1906
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...
-
ME107738
15944652
C20199
13.15
239.1275
Xanthan
-
ME107933
7107
C01464
13.2
183.0806
3-(2-Hydroxyphenyl)propanoate
3-(2-Hydroxyphenyl)propanoic acid
ME107736
6930705
C01198
13.4
167.0703
Zingerone
Zingerone
ME107937
31211
C17497
13.4
195.1018
Convallasaponin A
-
ME107793
441883
C08893
13.63
581.3661
16-Feruloyloxypalmitate
-
ME107708
44237331
C18217
13.81
449.2878
Lovastatin
Lovastatin
ME107856
53232
C07074
13.87
405.2609
Bensulfuron-methyl
-
ME107774
54960
C10937
13.92
411.0939
Bisphenol B
Bisphenol B
ME107780
66166
C14225
13.92
243.1358
Calycanthidine
-
ME107790
442031
C09097
13.94
361.2351
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME107698
-
C04875
14.2
294.2063
Precocene II
Precocene II
ME107904
12565
C09018
14.2
221.1175
Bakkenolide A
Bakkenolide A
ME107773
442173
C09350
14.21
235.1694
1H-Imidazole-4-methanol_1
Imidazole-4-methanol
ME107710
1745
C05562
14.23
99.0559
alpha-Sinensal
Sinensal
ME107764
5281534
C09729
14.33
219.1742
Buddledin A_1
Buddledin A
ME107784
5281514
C09623
14.4
277.18
(9Z)-Octadecenoic acid
Oleic acid
ME107699
445639
C00712
14.47
283.2631
1H-Imidazole-4-methanol_2
Imidazole-4-methanol
ME107711
1745
C05562
14.73
99.0559
2-Ethylhexyl phthalate
Monoethylhexyl phthalic acid
ME107727
-
C03343
14.73
279.1593
3-Butylidene-7-hydroxyphthalide
Phthalide
ME107739
5281559
C09921
14.73
205.0859
2,5-Dioxopentanoate
-
ME107722
21872870
C00433
1.58
131.0341
Auricularine
Auricularine
ME107771
441990
C09043
15.99
495.3478
Dodemorph
-
ME107807
61899
C18786
16.11
282.2791
2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate
2,3-bis-O-(Geranylgeranyl)glycerol 1-phosphate
ME107716
14556935
C04638
16.38
717.5253
Paspalinine
-
ME107894
9867531
C20554
16.39
434.2304
Fomepizole_2
Fomepizole
ME107819
3406
C07837
16.51
83.0611
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...
PE 16:0_18:1
ME107709
59834030
C13877
16.54
718.536
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME107752
500
C01035
1.67
146.0926
Cholesterol sulfate
Cholesterol sulfate
ME107791
65076
C18043
16.75
467.3166
Oxethazaine
Oxethazaine
ME107893
4621
C12552
16.75
468.3197
Piperidine
Piperidine
ME107902
8082
C01746
16.77
86.0971
L-Palmitoylcarnitine
CAR 16:0
ME107857
11953816
C02990
16.78
400.342
Aminoacetone_1
Aminoacetone
ME107765
215
C01888
17.07
74.0608
Phenylhydrazine
Phenylhydrazine
ME107899
7516
C02304
17.11
109.0766
2,4-Diaminotoluene
-
ME107719
7261
C14401
17.12
123.0921
Fomepizole_1
Fomepizole
ME107818
3406
C07837
17.12
83.0611
Ethephon
-
ME107811
27982
C18399
17.13
144.9824
Borreverine
Borreverine
ME107781
442020
C09082
17.2
481.3328
Brunfelsamidine
Brunfelsamidine
ME107783
5281683
C10133
17.49
110.0717
2,5-Dichloro-4-oxohex-2-enedioate_2
2,5-Dichloro-4-oxohex-2-enedioate
ME107721
5282172
C12835
17.5
226.9516
Fosetyl_2
-
ME107821
6328134
C18401
17.5
111.0207
Gyromitrin
Gyromitrin
ME107827
9548611
C08305
17.51
101.0717
URATE
Uric acid
ME107931
1175
C00366
1.87
169.0358
CITRATE
Citric acid
ME107792
311
C00158
1.95
215.0162
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME107876
185
-
2.22
190.0711
Succinic anhydride
Succinic anhydride
ME107918
7922
C19524
2.29
101.0239
Xanthine
Xanthine
ME107934
1188
C00385
2.5
153.0409
LEUCINE
Leucine
ME107845
6106
C00123
2.53
132.1022
URIDINE
Uridine
ME107932
6029
C00299
2.86
267.0587
Acadesine
AICAR
ME107761
17513
C04663
3.17
259.1035
2-Aminophenol
2-Aminophenol
ME107726
5801
C01987
3.22
110.0605
3-HYDROXYKYNURENINE_1
Hydroxykynurenine
ME107742
89
C03227
3.24
225.0871
3-HYDROXYKYNURENINE_2
Hydroxykynurenine
ME107743
89
C03227
3.24
223.0716
Ethiofencarb
Ethiofencarb
ME107812
34766
C18649
3.24
226.0902
N-(Acetyloxy)benzenamine
N-(Acetyloxy)benzenamine
ME107873
153367
C02709
3.24
152.0707
N-Methylethanolamine phosphate_2
N-Methylethanolamine phosphate
ME107890
25201132
C01210
3.41
156.0423
L-TYROSINE
Tyrosine
ME107863
6057
C00082
3.42
182.0814
Fluoroacetate_2
Fluoroacetic acid
ME107816
5236
C06108
3.92
79.0186
Leucocyanidin
Leucocyanidin
ME107846
71629
C05906
4.05
307.0831
Bis(chloromethyl) ether_1
-
ME107778
10967
C19158
4.61
114.9717
N6-(delta2-Isopentenyl)-adenine
N6-Isopentenyladenine
ME107875
92180
C04083
4.8
204.1243
Bis(chloromethyl) ether_2
-
ME107779
10967
C19158
4.92
114.9717
Dichloromethane_1
Dichloromethane
ME107802
6344
C02271
5.08
84.9604
2,2-Dichloro-1,1-ethanediol_1
-
ME107714
85275
C14860
5.14
130.9664
Fluoroacetate_3
Fluoroacetic acid
ME107817
5236
C06108
5.7
79.0186
11-Aminoundecanoic acid
11-Aminoundecanoic acid
ME107707
17083
C19325
6.07
202.1801
Hypoxanthine
Hypoxanthine
ME107833
790
C00262
6.12
137.046
Inosine
Inosine
ME107836
6021
C00294
6.13
269.0878
Isoprothiolane
Isoprothiolane
ME107837
39681
C11111
6.13
291.0696
4-Fluorocyclohexadiene-cis,cis-1,2-diol
-
ME107750
11829464
C16483
6.26
131.0493
Guanosine
Guanosine
ME107826
6802
C00387
6.26
284.0991
L-Phenylalanine
Phenylalanine
ME107858
6140
C00079
6.26
166.0863
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
-
ME107885
597195
C19872
6.31
167.0928
Pirbuterol
Pirbuterol
ME107903
4845
C07807
6.31
241.1548
Phenylethyl alcohol
2-Phenylethanol
ME107898
6054
C05853
6.48
123.0808
L-Kynurenine
Kynurenine
ME107851
161166
C00328
6.52
209.0923
3,4-Methylenedioxymethamphetamine
3,4-Methylenedioxymethamphetamine
ME107737
1615
C07577
6.64
194.1177
Zeatin
trans-Zeatin
ME107936
449093
C00371
6.64
220.1181
2-Hydroxycyclohexan-1-one
2-Hydroxycyclohexan-1-one
ME107729
10785
C01147
6.7
115.0757
gamma-Coniceine
gamma-Coniceine
ME107822
442632
C10138
6.71
126.128
Psicofuranine
Angustmycin C
ME107908
65086
C05342
6.74
298.1144
1,2,6-Hexanetriol_1
-
ME107704
7823
C20334
6.83
135.1018
3-Hydroxyhexobarbital
-
ME107741
439898
C03068
6.87
253.1183
Calcium L-aspartate
-
ME107789
30465
C13058
7.05
171.9929
Hexahomomethionine
Hexahomomethionine
ME107829
46878444
C17233
7.05
234.1526
Phenmetrazine
Phenmetrazine
ME107896
4762
C07432
7.05
178.1228
epsilon-Caprolactam
Epsilon-caprolactam
ME107809
7768
C06593
7.07
114.0918
Hyoscyamine methylbromide
-
ME107832
17882
C13109
7.08
384.1146
Bakankoside
Bakankoside
ME107772
442506
C09914
7.15
358.1498
2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate
2,6-Dioxo-6-phenylhexa-3-enoate
ME107728
54675833
C01273
7.16
219.0652
L-Tyrosine methyl ester
Methyl tyrosinate
ME107864
70652
C03404
7.16
196.097
2-Methoxyestrone 3-sulfate
2-Methoxyestrone 3-sulfate
ME107731
441485
C08358
7.17
381.1347
Jamaicamide B
-
ME107838
49787032
C18213
7.21
489.25
dUTP
dUTP
ME107808
65070
C00460
7.28
468.9785
4,8-Dihydroxyquinoline
Quinoline-4,8-diol
ME107747
440737
C05637
7.35
162.055
Methamphetamine
Methamphetamine
ME107869
10836
C07164
7.35
150.1279
Phendimetrazine
Phendimetrazine
ME107895
12460
C07904
7.36
192.1383
Xanthurenic acid
Xanthurenic acid
ME107935
5699
C02470
7.47
206.045
Schizonepetoside E
-
ME107913
46173963
C17638
7.53
349.1836
Indoleamine
-
ME107835
230280
C01819
7.55
133.0764
2-Aceto-2-hydroxybutanoate_1
2-Acetolactate
ME107724
21
C00659
7.65
147.0662
2-Oxosuberate
-
ME107734
146903
C16589
7.65
189.0741
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
-
ME107775
440386
C04561
7.65
209.119
Creatine
Creatine
ME107794
586
C00300
7.65
132.0778
Deethylatrazine
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME107800
22563
C06559
7.65
188.0706
L-Tryptophan
Tryptophan
ME107862
6305
C00078
7.65
205.0974
N-Amidino-L-glutamate
alpha-Guanidinoglutaric acid
ME107882
135313
C03140
7.65
190.0836
N-Ethylglycocyamine
N-Ethylglycocyamine
ME107884
439826
C02852
7.65
208.1161
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
-
ME107700
5459971
C04546
7.65
191.093
Betamethasone
Betamethasone
ME107777
9782
C06848
7.69
393.2094
Octylamine
Octylamine
ME107891
8143
C01740
7.82
130.1593
Loperamide
Loperamide
ME107855
3955
C07080
7.88
477.2327
4-Phenethylphenol
-
ME107755
80630
C14340
7.89
199.1099
Cyclohexylsulfamate
Cyclamic acid
ME107797
7533
C02824
7.89
180.0702
2-Naphthylamine
2-Aminonaphthalene
ME107733
7057
C02227
7.95
144.0799
Riboflavin
Riboflavin
ME107911
493570
C00255
7.96
377.1451
Harmaline
Harmaline
ME107828
5280951
C06536
8.05
215.118
Butoctamide hydrogen succinate
Listomin S
ME107787
2486
C12946
8.09
316.2122
Fosetyl_1
-
ME107820
6328134
C18401
8.16
111.0207
4-Vinylcyclohexene
-
ME107756
7499
C19310
8.45
109.1018
N-Acetyl-L-leucine
N-Acetylleucine
ME107878
75619
C02710
8.51
174.1127
Sulcatone
Sulcatone
ME107921
9862
C07287
8.62
127.112
Trp-P-1
-
ME107930
5284474
C19306
8.69
212.1182
Diallyl disulfide
-
ME107801
16590
C08369
9.02
147.031
Levamisole
Levamisole
ME107847
26879
C07070
9.02
205.0798
Analysis: ESI Negative mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,4-Dichlorotoluene
-
ME107948
7254
C18300
0.59
158.9773
Lysine
Lysine
ME108061
5962
C16440
0.65
145.0969
Ethanolamine phosphate
Phosphoethanolamine
ME108025
1015
C00346
0.69
140.0106
L-Histidine
Histidine
ME108052
6274
C00135
0.69
154.0609
9,10-Phenanthroquinone
9,10-Phenanthroquinone
ME107985
6763
C03243
0.7
207.0446
Arginine
Arginine
ME107993
6322
C00062
0.7
173.1033
D-Glucarate
Glucaric acid
ME108018
33037
C00818
0.7
209.0295
L-Arginine phosphate
Arginine phosphate
ME108049
92150
C05945
0.7
253.0701
sn-Glycero-3-phospho-1-inositol
sn-Glycero-3-phosphoinositol
ME108092
45480545
C01225
0.7
333.0585
sn-Glycero-3-phosphoethanolamine_1
sn-Glycero-3-phosphoethanolamine
ME108093
444183
C01233
0.71
214.0494
2-Aminobenzenesulfonate
2-Aminobenzenesulfonic acid
ME107953
6926
C06333
0.72
172.0085
5-Methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME107979
25010757
C17245
0.72
146.064
Glucose 6-phosphate/Fructose 6-phosphate
Glucose 6-phosphate
ME108035
-
C00085
0.72
259.0223
Glutamine
Glutamine
ME108037
5961
C00303
0.72
145.0605
Mercury(2+)_1
-
ME108065
26623
C00703
0.72
200.9644
sn-Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME108095
439162
C00093
0.72
171.0054
D-Xylonate
Xylonic acid
ME108023
5460056
C00502
0.73
165.0397
Threonine
Threonine
ME108105
6288
C00188
0.73
118.0495
DCI
-
ME108016
-
C11772
0.74
246.0462
D-GLUCURONOLACTONE
Glucuronolactone
ME108019
92283
C02670
0.74
193.0344
GLUCONIC ACID
Gluconic acid
ME108034
10690
C00257
0.74
195.0501
Glucose/Fructose [M+Cl]-
Hexose
ME108036
-
C00293/C01496
0.74
215.032
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME108038
439964
C03274
0.74
245.043
Mannitol
Mannitol
ME108063
6251
C00392
0.74
181.0703
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME107977
108214
C16365
0.75
225.0611
L-Methionine S-oxide
Methionine sulfoxide
ME108055
158980
C02989
0.75
164.0376
Aspartic acid
Aspartic acid
ME107995
5960
C16433
0.76
132.029
Fenamiphos
Fenamiphos
ME108028
31070
C18659
0.76
302.1006
L-Glutamate
Glutamic acid
ME108051
33032
C00025
0.76
146.0447
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME108072
439281
-
0.76
256.0594
Threonate
Threonic acid
ME108104
5460407
C01620
0.76
135.0298
Cytidine
Cytidine
ME108011
6175
C00475
0.77
242.0796
2-Phosphinomethylmalate
-
ME107956
6336010
C17947
0.78
211.0003
BMS-268770
-
ME108002
-
C14123
0.78
489.1666
Diphyllin
Diphyllin
ME108022
100492
C10559
0.78
379.0818
D-(+)-TREHALOSE
Trehalose
ME108012
7427
C01083
0.78
377.086
(+/-)-6-Acetonyldihydrosanguinarine
-
ME107938
-
C12201
0.8
388.1172
Fructoselysine 6-phosphate
Fructoselysine 6-phosphate
ME108030
50909832
C16489
0.8
387.1147
Melampodinin
Melampodinin
ME108064
11953936
C09501
0.82
521.1716
MYO-INOSITOL
Myo-inositol
ME108070
892
C00137
0.83
179.0552
Sepiapterin
Sepiapterin
ME108091
5200
C00835
0.83
236.0777
D-Erythrose
Erythrose
ME108017
94176
C01796
0.84
119.0341
Oxalureate
Oxaluric acid
ME108081
456
C00802
0.85
131.0103
UDP-glucose
UDP-glucose
ME108108
53477679
C00029
0.85
565.0473
Proline
Proline
ME108085
145742
C16435
0.86
114.0547
2,4-Dinitroaniline
2,4-Dinitroaniline
ME107949
7321
C14713
0.87
182.0215
C20913
-
ME108005
92042779
C20913
0.87
233.0776
alpha,beta-Didehydrotryptophan
alpha,beta-Didehydrotryptophan
ME107990
5280990
C06732
0.9
201.0678
Creatine-D3
Creatine
ME108010
-
-
0.9
133.0798
L-2-Aminoadipate
alpha-Aminoadipic acid
ME108046
92136
C00956
0.9
160.0604
3,4-Dihydroxy-L-phenylalanine
DOPA
ME107959
6047
C00355
0.92
196.0604
UDP-N-acetyl-alpha-D-glucosamine
UDP-N-acetylglucosamine
ME108109
16667373
C00043
0.92
606.0743
Fagomine
Fagomine
ME108027
72259
C10144
0.96
146.0811
Quinolinate
Quinolinic acid
ME108087
1066
C03722
0.96
166.0139
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME107973
128
C03680
0.98
155.045
N-Acetylornithine
N-Acetylornithine
ME108077
439232
C00437
0.98
173.092
4-Hydroxy-4-methylglutamate
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
ME107971
440894
C06034
0.99
176.0554
Jamaicamide C
-
ME108044
49787033
C18214
10.09
489.2531
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
ME107962
54683777
C04604
10.28
196.0243
L-2,3-Dihydrodipicolinate
-
ME108045
5460228
C03340
10.55
168.029
5-Oxo-1,2-campholide
5-Oxo-1,2-campholide
ME107980
439864
C02952
10.56
181.0859
ADP
ADP
ME107989
6022
C00008
1.06
426.0222
Fenclorim
-
ME108029
77338
C18832
1.06
222.9831
(S)-Malate
Malic acid
ME107942
222656
C00149
1.06
133.0129
Thiometon
Thiometon
ME108103
12541
C18665
1.06
244.9912
2-Amino-5-phosphopentanoic acid
-
ME107952
1216
C13734
1.07
196.037
Malaoxon
Malaoxon
ME108062
15415
C07498
1.09
313.0512
1-Hydroxy-2-naphthoate
1-Hydroxy-2-naphthoate
ME107946
6844
C03203
1.1
187.0409
AMP
AMP
ME107991
6083
C00020
1.1
346.0553
Coronene
Coronene
ME108009
9115
C19375
1.1
299.0879
Phosphoramide mustard
Phosphoramide mustard
ME108082
96356
C07647
1.1
218.9855
9,12,13-TriHOME
9,12,13-TriHOME
ME107986
9858729
C14833
11.05
329.2334
2-Oxoglutarate
2-Oxoglutaric acid
ME107955
51
C00026
1.11
145.013
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME108032
25200557
C03738
1.11
217.0825
L-Methionine
Methionine
ME108054
6137
C00073
1.11
148.0424
N-Acetyl-L-aspartate
N-Acetylaspartic acid
ME108074
65065
C01042
1.11
174.0397
Coniferyl alcohol
Coniferyl alcohol
ME108008
1549095
C00590
11.13
179.0701
3,5-Dinitroguaiacol
-
ME107960
14345197
C17101
11.18
213.0148
Sodium citrate
-
ME108096
6224
C13249
1.12
292.9866
Nidificene
Nidificene
ME108079
14865953
C17116
11.37
394.975
Cammaconine
Columbiananine
ME108006
441715
C08666
11.94
406.2629
Plocamene D
-
ME108084
6443228
C17105
1.2
236.9987
D-Arabinono-1,4-lactone
D-Arabinono-1,4-lactone
ME108014
17723
C00652
1.21
147.0286
Botrydial_1
Botrydial
ME108003
185781
C09622
12.19
309.1709
Salannin
Salannin
ME108090
6437066
C08780
12.37
595.2879
Z-Arg-Arg-NHMec
-
ME108117
-
C02334
12.4
620.2913
Botrydial_2
Botrydial
ME108004
185781
C09622
12.53
309.1709
Thymyl acetate
Thymol acetate
ME108106
68252
C09909
12.59
191.1067
Terpendole G
-
ME108102
10411534
C20586
12.73
450.2623
Phytuberin
Phytuberin
ME108083
442387
C09709
12.78
293.1755
sn-Glycero-3-phosphoethanolamine_2
sn-Glycero-3-phosphoethanolamine
ME108094
444183
C01233
12.91
214.0502
(9R,10R)-Dihydroxyoctadecanoic acid
9,10-Dihydroxystearic acid
ME107940
12235228
C08314
12.97
315.2534
Etorphine
Etorphine
ME108026
26721
C11793
13.02
410.2364
TDE_1
DDD
ME108100
6294
C06636
1.32
316.9471
6-Benzylaminopurine
Cytokinin B
ME107982
62389
C11263
13.2
224.0924
Dinoseb_2
2-(1-Methylpropyl)-4,6-dinitrophenol
ME108021
6950
C14302
13.28
239.0669
4-Chloroacetanilide_1
4-Chloroacetanilide
ME107969
10871
C14494
1.33
168.0232
Bis(4'-chlorophenyl)acetate_1
-
ME108000
4616189
C06640
1.33
278.998
L-Tyrosine methyl ester
Methyl tyrosinate
ME108059
70652
C03404
13.33
194.0815
Urate_1
Uric acid
ME108110
1175
C00366
1.34
167.02
2-Ethylhexyl phthalate
Monoethylhexyl phthalic acid
ME107954
-
C03343
13.55
277.1443
Endothal-disodium
-
ME108024
8519
C18724
13.62
229.0087
20-Hydroxyecdysone
20-Hydroxyecdysone
ME107950
5459840
C02633
13.65
479.2978
Rishitin
Rishitin
ME108089
108064
C09715
14
221.154
Bakkenolide A
Bakkenolide A
ME107998
442173
C09350
14.21
233.1541
Dinoseb_1
2-(1-Methylpropyl)-4,6-dinitrophenol
ME108020
6950
C14302
14.33
239.0669
(R)-2-Hydroxystearate
2-Hydroxystearic acid
ME107941
21145040
C03042
14.47
299.2592
16-Dehydroprogesterone
16,17-Didehydroprogesterone
ME107944
101964
C03207
14.87
311.2012
Gemfibrozil
Gemfibrozil
ME108033
3463
C07020
14.96
249.1493
Furmecyclox
Furmecyclox
ME108031
43359
C18912
15.24
250.1447
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
DHA
ME107939
445580
C06429
15.7
327.2347
Arachidonate
Arachidonic acid
ME107992
444899
C00219
16.01
303.233
Taxa-4(20),11(12)-dien-5alpha-yl acetate
-
ME108099
443486
C11896
16.2
329.2489
5''-Phosphoribostamycin
-
ME107981
70678656
C18004
16.26
533.1822
Linoleate
Linoleic acid
ME108053
5280450
C01595
16.26
279.2325
2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate
2,3-bis-O-(Geranylgeranyl)glycerol 1-phosphate
ME107947
14556935
C04638
16.45
715.5098
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...
PE 16:0_18:1
ME107945
59834030
C13877
16.61
716.5211
TDE_2
DDD
ME108101
6294
C06636
17.5
316.9472
4-Oxoproline
4-Oxo-proline
ME107974
107541
C01877
1.85
128.034
4-Chloroacetanilide_2
4-Chloroacetanilide
ME107970
10871
C14494
1.89
168.0232
Bis(4'-chlorophenyl)acetate_2
-
ME108001
4616189
C06640
1.89
278.998
Urate_2
Uric acid
ME108111
1175
C00366
1.9
167.02
CITRATE
Citric acid
ME108007
311
C00158
1.97
191.0189
N-Acetyl-L-glutamate
N-Acetylglutamic acid
ME108075
70914
C00624
2.24
188.0554
Succinate
Succinic acid
ME108098
1110
C00042
2.32
117.0182
Xanthine
Xanthine
ME108115
1188
C00385
2.54
151.025
URIDINE
Uridine
ME108112
6029
C00299
2.9
243.062
Mercury(2+)_4
-
ME108068
26623
C00703
3.15
200.9644
Acadesine
AICAR
ME107987
17513
C04663
3.21
257.0886
Quizalofop-ethyl
-
ME108088
53518
C18530
3.21
371.0815
Vicine
Vicine
ME108113
91446
C08437
3.21
303.0941
Hydroxyflutamide
Hydroxyflutamide
ME108041
91649
C14204
3.23
291.0601
3-HYDROXYKYNURENINE
Hydroxykynurenine
ME107964
89
C03227
3.24
223.0716
4,8-Dihydroxyquinoline_2
Quinoline-4,8-diol
ME107968
440737
C05637
3.29
160.0393
Acetyl-maltose
Acetyl-maltose
ME107988
11349616
C02130
3.43
383.1219
L-TYROSINE
Tyrosine
ME108058
6057
C00082
3.43
180.0657
N-Glycolyl-D-mannosamine 6-phosphate
N-Glycolyl-mannosamine 6-phosphate
ME108078
440300
C04336
3.43
316.0411
Mercury(2+)_2
-
ME108066
26623
C00703
3.55
200.9644
Mercury(2+)_3
-
ME108067
26623
C00703
3.89
200.9644
Mercury(2+)_5
-
ME108069
26623
C00703
4.69
200.9644
Inosine
Inosine
ME108043
6021
C00294
6.16
267.0735
7-Methyluric acid
7-Methyluric acid
ME107984
69160
C16355
6.23
181.0357
N-Acetyl-D-glucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME108071
440996
C00357
6.24
300.0467
L-Phenylalanine
Phenylalanine
ME108056
6140
C00079
6.25
164.0707
Guanosine
Guanosine
ME108039
6802
C00387
6.28
282.0844
Volkenin
Volkenin
ME108114
181811
C08344
6.64
286.091
Zeatin
trans-Zeatin
ME108118
449093
C00371
6.64
218.1026
3-Hydroxyhexobarbital
-
ME107963
439898
C03068
6.87
251.1036
Aryl sulfate
Phenyl hydrogen sulfate
ME107994
74426
C00850
7.01
172.9905
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene
-
ME107976
440357
C04486
7.02
233.012
Hyoscyamine methylbromide
-
ME108042
17882
C13109
7.08
382.0998
2-Aceto-2-hydroxybutanoate
2-Acetolactate
ME107951
21
C00659
7.13
145.0492
4,4'-Biphenyldithiol
-
ME107966
81399
C14569
7.14
217.0172
Bakankoside
Bakankoside
ME107997
442506
C09914
7.16
356.1345
4,8-Dihydroxyquinoline_1
Quinoline-4,8-diol
ME107967
440737
C05637
7.33
160.0393
6-Phospho-D-glucosaminate
-
ME107983
71728452
C20589
7.37
274.0333
L-Tyrosine methyl ester 4-sulfate
-
ME108060
21145083
C04201
7.4
274.0387
Xanthurenic acid
Xanthurenic acid
ME108116
5699
C02470
7.46
204.0295
3-(4-Hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME107958
9378
C03672
7.53
181.0493
3,7,4'-Tri-O-methylquercetin
Ayanin
ME107961
5280682
C04444
7.63
343.0799
5-Hydroxymethyldeoxycytidylate
-
ME107978
440189
C03997
7.64
336.0593
Lactucin
Lactucin
ME108047
442266
C09489
7.64
275.0923
L-Tryptophan
Tryptophan
ME108057
6305
C00078
7.64
203.0819
1,2-Bis(4-nitrophenyl)ethane
-
ME107943
69776
C14589
7.65
271.0703
Pyridafenthion
Pyridaphenthion
ME108086
8381
C18762
7.65
339.0575
Bendiocarb
Bendiocarb
ME107999
2314
C14433
7.77
222.0763
Triadimenol
Triadimenol
ME108107
41368
C11127
7.82
294.1016
4-Hydroxybenzoate
4-Hydroxybenzoic acid
ME107972
135
C00156
7.85
137.0231
D-2-Hydroxyisocaproate
D-Leucic acid
ME108013
439960
C03264
7.95
131.0701
Lamiide
Lamiide
ME108048
443327
C11644
8
421.136
N-Acetyl-L-leucine
N-Acetylleucine
ME108076
75619
C02710
8.27
172.0968
4-Sulfobenzyl alcohol
-
ME107975
9543135
C06678
8.46
187.0061
Suberic acid
Suberic acid
ME108097
10457
C08278
8.58
173.081
L-Cladinose
L-Cladinose
ME108050
5460588
C11917
8.67
175.0964
N-Methylhexanamide
N-Methyl hexanamide
ME108080
439790
C02722
8.69
128.1068
3-(2-Hydroxyphenyl)propanoate
3-(2-Hydroxyphenyl)propanoic acid
ME107957
6930705
C01198
8.72
165.0546
Hedamycin
-
ME108040
98033
C15759
8.73
745.3389
Zonisamide
Zonisamide
ME108119
5734
C07504
8.94
211.0177
Azelaic acid
Azelaic acid
ME107996
2266
C08261
9.24
187.0965
DCEBIO
DCEBIO
ME108015
656765
C13844
9.47
228.9936
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME108073
439917
C03137
9.48
245.093
3-Methyleneoxindole
3-Methyleneoxindole
ME107965
150946
C02796
9.74
144.0442
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