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Clonazolam MS3_2
SpectraBase Compound ID JokAJQHYSOE
InChI InChI=1S/C17H12ClN4/c1-11-20-21-16-10-19-17(12-6-2-4-8-14(12)18)13-7-3-5-9-15(13)22(11)16/h2,4-9H,10H2,1H3/q+1
InChIKey XRTNPAOJWYXMNY-UHFFFAOYSA-N
Mol Weight 307.76 g/mol
Molecular Formula C17H12ClN4
Exact Mass 307.075049 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5aw3GC5Cheq
Name Clonazolam MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-320.00]
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InChI InChI=1S/C17H12ClN4/c1-11-20-21-16-10-19-17(12-6-2-4-8-14(12)18)13-7-3-5-9-15(13)22(11)16/h2,4-9H,10H2,1H3/q+1
InChIKey XRTNPAOJWYXMNY-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+]=1C=CC2=C(C1)C(=NCC=1N2C(=NN1)C)C1=C(C=CC=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