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Nitrazepam
SpectraBase Compound ID C3nxysX5ZY2
InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
InChIKey KJONHKAYOJNZEC-UHFFFAOYSA-N
Mol Weight 281.27 g/mol
Molecular Formula C15H11N3O3
Exact Mass 281.080041 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID GdaCww6LJjI
Name Nitrazepam ##
CAS Registry Number 146-22-5
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-305.00]
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Formula C15H11N3O3
InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
InChIKey KJONHKAYOJNZEC-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N1C=2C(C(=NCC1=O)C=1C=CC=CC1)=CC(=CC2)N(=O)=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD