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Cinnarizine MS2
SpectraBase Compound ID 3PP5GsChqjE
InChI InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10-
InChIKey DERZBLKQOCDDDZ-RAXLEYEMSA-N
Mol Weight 368.52 g/mol
Molecular Formula C26H28N2
Exact Mass 368.225249 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 99izYWXdxY
Name Cinnarizine MS2
CAS Registry Number 298-57-7
Comments F: ITMS + c ESI d w Full ms2 369.00
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Formula C26H28N2
InChI InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10-
InChIKey DERZBLKQOCDDDZ-RAXLEYEMSA-N
Ion Polarity P
Ionization Type ESI
SMILES C=1(C=CC=CC1)\C=C/CN1CCN(CC1)C(C1=CC=CC=C1)C=1C=CC=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 ms2
Technique ITMS