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Carazolol MS3_1
SpectraBase Compound ID JrXB29LVjVn
InChI InChI=1S/C15H12NO/c1-2-10-17-14-9-5-8-13-15(14)11-6-3-4-7-12(11)16-13/h2-10,16H,1H2/q+1
InChIKey BLOCWIMUWJILKT-UHFFFAOYSA-N
Mol Weight 222.27 g/mol
Molecular Formula C15H12NO
Exact Mass 222.091889 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LfCxZGyXJIA
Name Carazolol-M (N-dealkyl-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C15H12NO/c1-2-10-17-14-9-5-8-13-15(14)11-6-3-4-7-12(11)16-13/h2-10,16H,1H2/q+1
InChIKey BLOCWIMUWJILKT-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1C2=CC=CC=C2C2=C1C=CC=C2O[CH+]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 ms3
Technique ITMS