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Bisoprolol MS3_1
SpectraBase Compound ID EwmC7acReiC
InChI InChI=1S/C13H20NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,3,8-9H2,1-2H3/q+1
InChIKey HLXHKYKKCNXKTO-UHFFFAOYSA-N
Mol Weight 222.31 g/mol
Molecular Formula C13H20NO2
Exact Mass 222.149404 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4BQYO0M8df8
Name Bisoprolol MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C13H20NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,3,8-9H2,1-2H3/q+1
InChIKey HLXHKYKKCNXKTO-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(CC(COC1=CC=C(C=C1)[CH2+])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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS