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Difenacoum MS3_1
SpectraBase Compound ID 29iYxmtsvwn
InChI InChI=1S/C20H17/c1-3-7-17(8-4-1)11-12-18-13-15-20(16-14-18)19-9-5-2-6-10-19/h1-10,12-16H,11H2/q+1
InChIKey HHLGIJLDADVSLO-UHFFFAOYSA-N
Mol Weight 257.36 g/mol
Molecular Formula C20H17
Exact Mass 257.133026 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9Uvtp15y5I
Name Difenacoum MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-270.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C20H17/c1-3-7-17(8-4-1)11-12-18-13-15-20(16-14-18)19-9-5-2-6-10-19/h1-10,12-16H,11H2/q+1
InChIKey HHLGIJLDADVSLO-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH+](CC1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1
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