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Tetrazepam-M (HO-glucuronide) isomer 1 MS3_2
SpectraBase Compound ID BSbg2ZPBXpJ
InChI InChI=1S/C16H15ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-3,6-9H,4-5,10H2,1H3
InChIKey RJDZKLDLQDMCCC-UHFFFAOYSA-N
Mol Weight 286.76 g/mol
Molecular Formula C16H15ClN2O
Exact Mass 286.087291 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 3vbjLHeYEoN
Name Tetrazepam-M (HO-glucuronide) isomer 1 MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C16H15ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-3,6-9H,4-5,10H2,1H3
InChIKey RJDZKLDLQDMCCC-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C1(=CCC=CC1)C=1C=2C(N(C)C(CN1)=O)=CC=C(C2)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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS