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Metizolam MS2
SpectraBase Compound ID AXC44VxJkhc
InChI InChI=1S/C11H11NO2/c1-2-7-14-10-5-3-9(4-6-10)8-11(12)13/h2-7H,1,8H2,(H-,12,13)/p+1/b7-2-
InChIKey MOBQCDQZOSYTAI-UQCOIBPSSA-O
Mol Weight 190.22 g/mol
Molecular Formula C11H12NO2
Exact Mass 190.086804 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8srywQQSo0x
Name Metizolam MS2
Comments F: ITMS + c ESI d w Full ms2 329.30
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Formula C16H13ClN4S
InChI InChI=1S/C11H11NO2/c1-2-7-14-10-5-3-9(4-6-10)8-11(12)13/h2-7H,1,8H2,(H-,12,13)/p+1/b7-2-
InChIKey MOBQCDQZOSYTAI-UQCOIBPSSA-O
Ion Polarity P
Ionization Type ESI
SMILES NC(CC=1C=CC(O\C=C/[CH2+])=CC1)=O
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 ms2
Technique ITMS