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Bisoprolol
SpectraBase Compound ID 4nb4STgHBiw
InChI InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
InChIKey VHYCDWMUTMEGQY-UHFFFAOYSA-N
Mol Weight 325.45 g/mol
Molecular Formula C18H31NO4
Exact Mass 325.225308 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 3tpnVjADwCj
Name Nitrazolam MS2
Comments F: ITMS + c ESI d w Full ms2 320.30
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Formula C17H13N5O2
InChI InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
InChIKey VHYCDWMUTMEGQY-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(CNC(C)C)COC=1C=CC(COCCOC(C)C)=CC1
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 ms2
Technique ITMS