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Fenbufen MS3_2
SpectraBase Compound ID FEe8FSIqvj3
InChI InChI=1S/C13H9O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H/q+1
InChIKey FJSQKRXVNPMHIA-UHFFFAOYSA-N
Mol Weight 181.21 g/mol
Molecular Formula C13H9O
Exact Mass 181.06534 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID L59utskLZdC
Name Fenbufen MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-195.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C13H9O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H/q+1
InChIKey FJSQKRXVNPMHIA-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C(C=1C=CC(=CC1)C1=CC=CC=C1)#[O+]
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