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Betaxolol MS3_1
SpectraBase Compound ID 4T3Gh06Nxi6
InChI InChI=1S/C11H13O2/c1-2-10-4-6-11(7-5-10)13-9-3-8-12/h2,4-8,12H,1,3,9H2/q+1
InChIKey DELIUGMKPXGIIL-UHFFFAOYSA-N
Mol Weight 177.22 g/mol
Molecular Formula C11H13O2
Exact Mass 177.091555 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2Usmw5eteb
Name Metizolam MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-315.00]
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Formula C14H9ClN4S
InChI InChI=1S/C11H13O2/c1-2-10-4-6-11(7-5-10)13-9-3-8-12/h2,4-8,12H,1,3,9H2/q+1
InChIKey DELIUGMKPXGIIL-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES O[CH+]CCOC=1C=CC(C=C)=CC1
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 ms3
Technique ITMS