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Bromazepam-M (di-HO-ABBP) isomer 1 MS2
SpectraBase Compound ID H3JhmJjllCG
InChI InChI=1S/C12H9BrN2O3/c13-7-5-6(9(14)12(18)11(7)17)10(16)8-3-1-2-4-15-8/h1-5,17-18H,14H2
InChIKey YMZIFVDIZJLCLM-UHFFFAOYSA-N
Mol Weight 309.12 g/mol
Molecular Formula C12H9BrN2O3
Exact Mass 307.979655 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID BePL23fVZlZ
Name Bromazepam-M (di-HO-ABBP) isomer 1 MS2
Comments T: ITMS + c ESI d w Full ms2 [email protected] [75.00-320.00]
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Formula C12H9BrN2O3
InChI InChI=1S/C12H9BrN2O3/c13-7-5-6(9(14)12(18)11(7)17)10(16)8-3-1-2-4-15-8/h1-5,17-18H,14H2
InChIKey YMZIFVDIZJLCLM-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC=1C(=CC(=C(C1O)N)C(C1=CC=CC=N1)=O)Br
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 ms2
Technique ITMS