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Monodesethylflurazepam
SpectraBase Compound ID 6DUY2SJOhri
InChI InChI=1S/C19H19ClFN3O/c1-2-22-9-10-24-17-8-7-13(20)11-15(17)19(23-12-18(24)25)14-5-3-4-6-16(14)21/h3-8,11,22H,2,9-10,12H2,1H3
InChIKey DINCAJAWFDEDPU-UHFFFAOYSA-N
Mol Weight 359.83 g/mol
Molecular Formula C19H19ClFN3O
Exact Mass 359.120068 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AnsxWEww1ye
Name Flurazepam-M (HO-glucuronide) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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Formula C19H19ClFN3O
InChI InChI=1S/C19H19ClFN3O/c1-2-22-9-10-24-17-8-7-13(20)11-15(17)19(23-12-18(24)25)14-5-3-4-6-16(14)21/h3-8,11,22H,2,9-10,12H2,1H3
InChIKey DINCAJAWFDEDPU-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(CCN1C2=C(C=C(C=C2)Cl)C(C2=C(C=CC=C2)F)=NCC1=O)CC
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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS