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Betaxolol-M (N-oxide) MS2
SpectraBase Compound ID 3YJoHN3Rddx
InChI InChI=1S/C18H29NO4/c1-14(2)19(21)18(20)10-12-23-17-7-5-15(6-8-17)9-11-22-13-16-3-4-16/h5-8,14,16,18,20-21H,3-4,9-13H2,1-2H3
InChIKey RMPSJTFJWMYFBC-UHFFFAOYSA-N
Mol Weight 323.43 g/mol
Molecular Formula C18H29NO4
Exact Mass 323.209658 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HZbKiGS0zg5
Name Betaxolol-M (N-oxide) MS2
Comments F: ITMS + c ESI d w Full ms2 324.10
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Formula C18H29NO4
InChI InChI=1S/C18H29NO4/c1-14(2)19(21)18(20)10-12-23-17-7-5-15(6-8-17)9-11-22-13-16-3-4-16/h5-8,14,16,18,20-21H,3-4,9-13H2,1-2H3
InChIKey RMPSJTFJWMYFBC-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES ON(C(CCOC=1C=CC(CCOCC2CC2)=CC1)O)C(C)C
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS