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Name
Formula / Structure
ExactMass
ID
O-CHLORODIAZEPAM
1 spectrum
C16H12Cl2N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
318.03268
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003515
O-CHLOROPHENOL
1 spectrum
C6H5ClO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
128.00288
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002903
O-CHLOROTOLUENE
1 spectrum
C7H7Cl
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
126.02363
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005271
O-CRESOL
1 spectrum
C7H8O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
108.05751
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005420
O-CRESYL ACETATE
1 spectrum
C9H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.06808
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006900
O-DECYLHYDROXYLAMINE
1 spectrum
C10H23NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.17796
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003719
O-DeMethylfoliosidine
4 spectra
C15H19NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
293.32239
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03083
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03082
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03081
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03084
O-Des[2-aminoethyl]-O-carboxymethyl dehydroamlodip...
9 spectra
C20H20ClNO7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
421.09280
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+
MSBNK-Eawag-EQ500707
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EQ500701
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M+H]+
MSBNK-Eawag-EQ500708
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+
MSBNK-Eawag-EQ500709
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EQ500702
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EQ500703
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EQ500704
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EQ500705
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EQ500706
O-Desmethyl amisulpride
16 spectra
C16H25N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
355.15659
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311093415
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311093408
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311093407
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311093404
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311093410
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311093406
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311093418
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311093417
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311093419
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093405
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093412
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311093414
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311093413
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311093411
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311093409
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311093416
O-desmethyl-metoprolol
16 spectra
C14H23NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.16780
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311093739
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311093730
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311093735
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311093734
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311093733
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311093726
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311093729
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311093725
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311093736
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093727
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093728
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311093732
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311093738
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311093724
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311093737
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311093731
O-desmethyl-naproxen
14 spectra
C13H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.07860
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311108761
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311108755
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311108764
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311108758
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311108759
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311108753
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311108756
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108754
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108762
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311108760
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311108757
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311108763
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311108765
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311108766
O-desmethyl-tramadol
16 spectra
C15H23NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
249.17290
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311095329
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311095341
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311095336
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311095332
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311095333
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311095330
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311095339
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311095342
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311095331
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311095338
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311095343
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311095335
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311095340
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311095328
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311095337
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311095334
O-desmethyl-venlafaxine
16 spectra
C16H25NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
263.18851
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311109327
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311109335
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311109334
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311109329
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311109320
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311109333
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311109330
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311109328
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311109331
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311109321
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311109325
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311109322
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311109323
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311109324
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311109332
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311109326
O-Desmethyltramadol
6 spectra
C15H23NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
249.17288
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU226901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU226902
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU226903
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU226904
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU226905
LC-ESI-QTOF; MS2; CE: Ramp 19.8-29.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU226906
O-desmethylvenlafaxine
17 spectra
C16H25NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
263.18851
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA105308
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA105302
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA105309
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA105303
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA105314
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA105301
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA105310
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA105304
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA105311
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA105305
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA105312
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA105306
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA105313
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA105307
LC-ESI-QTOF; MS2; CE: 10.0V; [M+H]+
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00821
LC-ESI-QTOF; MS2; CE: 20.0V; [M+H]+
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00822
LC-ESI-QTOF; MS2; CE: 40.0V; [M+H]+
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00823
O-Desmethylvenlafaxine
6 spectra
C16H25NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
263.18854
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002819
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002818
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002817
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002816
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002815
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002814
O-Desvenlafaxine
5 spectra
C16H25NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
263.18854
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU202101
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU202102
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU202103
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU202104
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU202105
o-Dianisidine
10 spectra
C14H16N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.12120
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF414003
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414001
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414004
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF414002
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242702
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242703
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242704
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242705
LC-ESI-QTOF; MS2; CE: Ramp 19.6-29.4 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242706
O-DICHLOROBENZENE
1 spectrum
C6H4Cl2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.96901
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003629
O-DIETHOXYBENZENE
1 spectrum
C10H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.09938
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006584
O-ETHOXYPHENOL
1 spectrum
C8H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.06808
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008436
O-ETHYL O-(4-NITROPHENYL)PHENYLPHOSPHOROTOHIOATE
1 spectrum
C14H14NO4PS
323.03812
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007533
O-ETHYL S,S-DIPHENYL PHOSPHORODITHIOATE
1 spectrum
C14H15O2PS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.02512
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007536
O-ETHYLPHENOL
1 spectrum
C8H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
122.07316
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009214
O-HEXYLHYDROXYLAMINE
1 spectrum
C6H15NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.11536
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003716
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