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Cloniprazepam MS3_2
SpectraBase Compound ID 10MlbP6bLDs
InChI InChI=1S/C15H11ClN3O2/c16-13-4-2-1-3-11(13)15-12-9-10(19(20)21)5-6-14(12)17-7-8-18-15/h1-7,9,17H,8H2/q+1
InChIKey XPTQLWVZZCZWFZ-UHFFFAOYSA-N
Mol Weight 300.73 g/mol
Molecular Formula C15H11ClN3O2
Exact Mass 300.053979 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5IeNRrcmN8e
Name Cloniprazepam MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-315.00]
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InChI InChI=1S/C15H11ClN3O2/c16-13-4-2-1-3-11(13)15-12-9-10(19(20)21)5-6-14(12)17-7-8-18-15/h1-7,9,17H,8H2/q+1
InChIKey XPTQLWVZZCZWFZ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1[CH+]CN=C(C2=C1C=CC(=C2)N(=O)=O)C=1C(=CC=CC1)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