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Brodifacoume MS3_1
SpectraBase Compound ID Bx2ED7vUtuH
InChI InChI=1S/C20H16Br/c21-20-14-12-19(13-15-20)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,7-15H,6H2/q+1
InChIKey LAZBRWZAJUWCJM-UHFFFAOYSA-N
Mol Weight 336.25 g/mol
Molecular Formula C20H16Br
Exact Mass 335.043539 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Gp9Ner7VvR6
Name Brodifacoume MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-350.00]
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InChI InChI=1S/C20H16Br/c21-20-14-12-19(13-15-20)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,7-15H,6H2/q+1
InChIKey LAZBRWZAJUWCJM-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH+](CC1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)Br
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