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11,935 Hit.
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Name
Formula / Structure
ExactMass
ID
2-Methylglutaric acid
1 spectrum
C6H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.05791
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100847
2-Oxobutyric acid
1 spectrum
C4H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
102.03169
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100863
2-Oxoglutaric acid
1 spectrum
C5H6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.02151
GC-EI-TOF; MS; 2 TMS; 1 MEOX; BP:73
PR010210
2-Oxovaleric acid
1 spectrum
C5H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.04734
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100865
2-Propenyl glucosinolate
13 spectra
C10H17NO9S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
359.37399
LC-ESI-QTOF; MS2
PR307170
LC-ESI-QTOF; MS2
PR307174
LC-ESI-QTOF; MS2
PR307178
LC-ESI-QTOF; MS2
PR307182
LC-ESI-QTOF; MS2
PR307186
LC-ESI-QTOF; MS2
PR307189
LC-ESI-QTOF; MS2
PR307193
LC-ESI-QTOF; MS2
PR307197
LC-ESI-QTOF; MS2
PR307201
LC-ESI-QTOF; MS2
PR307205
LC-ESI-QTOF; MS2
PR307209
LC-ESI-QTOF; MS2
PR307213
LC-ESI-QTOF; MS2
PR308761
3',5'-Cyclic AMP
4 spectra
C10H12N5O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.05252
GC-EI-TOF; MS; 3 TMS; BP:73
PR010133
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR100101
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100100
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100531
3',5'-Dimethoxy-4'-hydroxyacetophenone
24 spectra
C10H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.20200
LC-ESI-QTOF; MS2
PR304133
LC-ESI-QTOF; MS2
PR304135
LC-ESI-QTOF; MS2
PR304137
LC-ESI-QTOF; MS2
PR304139
LC-ESI-QTOF; MS2
PR304141
LC-ESI-QTOF; MS2
PR304143
LC-ESI-QTOF; MS2
PR304145
LC-ESI-QTOF; MS2
PR304147
LC-ESI-QTOF; MS2
PR304149
LC-ESI-QTOF; MS2
PR304151
LC-ESI-QTOF; MS2
PR304153
LC-ESI-QTOF; MS2
PR304155
LC-ESI-QTOF; MS2
PR308181
LC-ESI-QTOF; MS2
PR308183
LC-ESI-QTOF; MS2
PR308185
LC-ESI-QTOF; MS2
PR308187
LC-ESI-QTOF; MS2
PR308189
LC-ESI-QTOF; MS2
PR308191
LC-ESI-QTOF; MS2
PR308193
LC-ESI-QTOF; MS2
PR308196
LC-ESI-QTOF; MS2
PR308198
LC-ESI-QTOF; MS2
PR308200
LC-ESI-QTOF; MS2
PR308202
LC-ESI-QTOF; MS2
PR308760
3'-Dephosphocoenzyme A
4 spectra
C21H35N7O13P2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
687.14886
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR100095
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
PR100529
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100094
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100528
3,4,5-Trihydroxystilbene
26 spectra
C14H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
228.24699
LC-ESI-QTOF; MS2
PR302554
LC-ESI-QTOF; MS2
PR302560
LC-ESI-QTOF; MS2
PR302566
LC-ESI-QTOF; MS2
PR302572
LC-ESI-QTOF; MS2
PR302578
LC-ESI-QTOF; MS2
PR302584
LC-ESI-QTOF; MS2
PR302590
LC-ESI-QTOF; MS2
PR302596
LC-ESI-QTOF; MS2
PR302602
LC-ESI-QTOF; MS2
PR302608
LC-ESI-QTOF; MS2
PR302614
LC-ESI-QTOF; MS2
PR302620
LC-ESI-QTOF; MS2
PR306213
LC-ESI-QTOF; MS2
PR306219
LC-ESI-QTOF; MS2
PR306225
LC-ESI-QTOF; MS2
PR306231
LC-ESI-QTOF; MS2
PR306237
LC-ESI-QTOF; MS2
PR306243
LC-ESI-QTOF; MS2
PR306249
LC-ESI-QTOF; MS2
PR306255
LC-ESI-QTOF; MS2
PR306261
LC-ESI-QTOF; MS2
PR306267
LC-ESI-QTOF; MS2
PR306273
LC-ESI-QTOF; MS2
PR306279
LC-ESI-QTOF; MS2
PR308717
LC-ESI-QTOF; MS2
PR310413
3,4-Dihydroxyphenylacetic acid
1 spectrum
C8H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.04227
GC-EI-TOF; MS; 3 TMS; BP:73
PR010219
3,4-Dimethoxycinnamic acid
30 spectra
C11H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.21300
LC-ESI-QTOF; MS2
PR302345
LC-ESI-QTOF; MS2
PR302351
LC-ESI-QTOF; MS2
PR302357
LC-ESI-QTOF; MS2
PR302363
LC-ESI-QTOF; MS2
PR302368
LC-ESI-QTOF; MS2
PR302374
LC-ESI-QTOF; MS2
PR302379
LC-ESI-QTOF; MS2
PR302384
LC-ESI-QTOF; MS2
PR302389
LC-ESI-QTOF; MS2
PR302394
LC-ESI-QTOF; MS2
PR302400
LC-ESI-QTOF; MS2
PR302405
LC-ESI-QTOF; MS2
PR306011
LC-ESI-QTOF; MS2
PR306017
LC-ESI-QTOF; MS2
PR306023
LC-ESI-QTOF; MS2
PR306029
LC-ESI-QTOF; MS2
PR306035
LC-ESI-QTOF; MS2
PR306041
LC-ESI-QTOF; MS2
PR306047
LC-ESI-QTOF; MS2
PR306058
LC-ESI-QTOF; MS2
PR306064
LC-ESI-QTOF; MS2
PR306070
LC-ESI-QTOF; MS2
PR308804
LC-ESI-QTOF; MS2
PR310499
LC-ESI-QTOF; MS2; CE:30 V; [M+H-H2O]+
PR040229
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR040228
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H-H2O]+
PR040227
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR040226
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100329
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR040225
3,5-Dibromo-L-tyrosine
2 spectra
C9H9Br2NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.89493
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100421
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100881
3,5-Dimethoxycinnamic acid
27 spectra
C11H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.21300
LC-ESI-QTOF; MS2
PR302412
LC-ESI-QTOF; MS2
PR302418
LC-ESI-QTOF; MS2
PR302424
LC-ESI-QTOF; MS2
PR302430
LC-ESI-QTOF; MS2
PR302436
LC-ESI-QTOF; MS2
PR302442
LC-ESI-QTOF; MS2
PR302448
LC-ESI-QTOF; MS2
PR302454
LC-ESI-QTOF; MS2
PR302460
LC-ESI-QTOF; MS2
PR302466
LC-ESI-QTOF; MS2
PR302472
LC-ESI-QTOF; MS2
PR302478
LC-ESI-QTOF; MS2
PR306082
LC-ESI-QTOF; MS2
PR306088
LC-ESI-QTOF; MS2
PR306094
LC-ESI-QTOF; MS2
PR306100
LC-ESI-QTOF; MS2
PR306106
LC-ESI-QTOF; MS2
PR306112
LC-ESI-QTOF; MS2
PR306118
LC-ESI-QTOF; MS2
PR306124
LC-ESI-QTOF; MS2
PR306130
LC-ESI-QTOF; MS2
PR306135
LC-ESI-QTOF; MS2
PR306141
LC-ESI-QTOF; MS2
PR306147
LC-ESI-QTOF; MS2
PR308805
LC-ESI-QTOF; MS2
PR310500
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100330
3-(Methylsulfinyl)propylglucosinolate
1 spectrum
C11H21NO10S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
423.03275
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+K]+
PR100429
3-Aminopropionitrile
2 spectra
C3H6N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
70.05310
GC-EI-TOF; MS; 2 TMS; BP:73
PR010132
GC-EI-TOF; MS; n TMS; BP:73
PR010131
3-Chloro-L-tyrosine
2 spectra
C9H10ClNO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
215.03493
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100422
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100882
3-Cyanopyridine
2 spectra
C6H4N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.03745
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR100270
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100269
3-Hydroxy-3-methylglutaric acid
2 spectra
C6H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.05283
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100380
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100830
3-Hydroxy-DL-kynurenine
3 spectra
C10H12N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.07971
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR100097
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100096
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100530
3-Hydroxycinnamic acid
22 spectra
C9H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.16000
LC-ESI-QTOF; MS2
PR302005
LC-ESI-QTOF; MS2
PR302011
LC-ESI-QTOF; MS2
PR302017
LC-ESI-QTOF; MS2
PR302023
LC-ESI-QTOF; MS2
PR302029
LC-ESI-QTOF; MS2
PR302035
LC-ESI-QTOF; MS2
PR302041
LC-ESI-QTOF; MS2
PR302052
LC-ESI-QTOF; MS2
PR302058
LC-ESI-QTOF; MS2
PR302064
LC-ESI-QTOF; MS2
PR305564
LC-ESI-QTOF; MS2
PR305570
LC-ESI-QTOF; MS2
PR305577
LC-ESI-QTOF; MS2
PR305583
LC-ESI-QTOF; MS2
PR305589
LC-ESI-QTOF; MS2
PR305595
LC-ESI-QTOF; MS2
PR305601
LC-ESI-QTOF; MS2
PR305613
LC-ESI-QTOF; MS2
PR305618
LC-ESI-QTOF; MS2
PR305625
LC-ESI-QTOF; MS2
PR309367
LC-ESI-QTOF; MS2
PR310504
3-Hydroxymandelic acid
1 spectrum
C8H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.04227
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100873
3-Hydroxypyridine
4 spectra
C5H5NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
95.03711
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR100333
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
PR100769
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100332
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100768
3-Indoleacetonitrile
3 spectra
C10H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.06876
GC-EI-TOF; MS; 1 TMS; BP:73
PR010109
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR100050
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100049
3-Indoxyl sulfate
1 spectrum
C8H7NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.00958
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100831
3-Methoxycinnamic acid
25 spectra
C10H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.18700
LC-ESI-QTOF; MS2
PR302215
LC-ESI-QTOF; MS2
PR302220
LC-ESI-QTOF; MS2
PR302225
LC-ESI-QTOF; MS2
PR302230
LC-ESI-QTOF; MS2
PR302235
LC-ESI-QTOF; MS2
PR302240
LC-ESI-QTOF; MS2
PR302245
LC-ESI-QTOF; MS2
PR302250
LC-ESI-QTOF; MS2
PR302255
LC-ESI-QTOF; MS2
PR302260
LC-ESI-QTOF; MS2
PR302265
LC-ESI-QTOF; MS2
PR302270
LC-ESI-QTOF; MS2
PR305850
LC-ESI-QTOF; MS2
PR305857
LC-ESI-QTOF; MS2
PR305876
LC-ESI-QTOF; MS2
PR305883
LC-ESI-QTOF; MS2
PR305889
LC-ESI-QTOF; MS2
PR305901
LC-ESI-QTOF; MS2
PR305908
LC-ESI-QTOF; MS2
PR305921
LC-ESI-QTOF; MS2
PR308803
LC-ESI-QTOF; MS2
PR310498
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR040232
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H-H2O]+
PR040231
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR040230
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