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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 6UfeHv6IsbA
Name Cinnarizine
CAS Registry Number 298-57-7
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-395.00]
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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
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C=1(C=CC=CC1)\C=C/CN1CCN(CC1)C(C=1C=CC=CC1)C1=CC=CC=C1
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD