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Lonazolac MS3_1
SpectraBase Compound ID KCu9RNIu9xm
InChI InChI=1S/C16H12ClN2/c1-12-11-19(15-5-3-2-4-6-15)18-16(12)13-7-9-14(17)10-8-13/h2-11H,1H2/q+1
InChIKey PNOUWMBFTYRFPX-UHFFFAOYSA-N
Mol Weight 267.74 g/mol
Molecular Formula C16H12ClN2
Exact Mass 267.068901 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID EIPwifT2JSj
Name Lonazolac MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-280.00]
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InChI InChI=1S/C16H12ClN2/c1-12-11-19(15-5-3-2-4-6-15)18-16(12)13-7-9-14(17)10-8-13/h2-11H,1H2/q+1
InChIKey PNOUWMBFTYRFPX-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]C1=CN(C2=CC=CC=C2)N=C1C1=CC=C(C=C1)Cl
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