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Terfenadine MS3_1
SpectraBase Compound ID DqEAnl5kMEb
InChI InChI=1S/C32H38N/c1-32(2,3)30-19-17-26(18-20-30)12-10-11-23-33-24-21-29(22-25-33)31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-10,12-20,29H,11,21-25H2,1-3H3/q+1/b12-10-
InChIKey JANAWTCYFGMUIR-BENRWUELSA-N
Mol Weight 436.7 g/mol
Molecular Formula C32H38N
Exact Mass 436.300425 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8JkHFMoDq4
Name Terfenadine MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [110.00-450.00]
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InChI InChI=1S/C32H38N/c1-32(2,3)30-19-17-26(18-20-30)12-10-11-23-33-24-21-29(22-25-33)31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-10,12-20,29H,11,21-25H2,1-3H3/q+1/b12-10-
InChIKey JANAWTCYFGMUIR-BENRWUELSA-N
Ion Polarity P
Ionization Type ESI
SMILES C(\C=C/C1=CC=C(C=C1)C(C)(C)C)CN1CCC(CC1)[C+](C=1C=CC=CC1)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 ms3
Technique ITMS