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Tamoxifen
SpectraBase Compound ID wpyiUEGVP5
InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
InChIKey NKANXQFJJICGDU-QPLCGJKRSA-N
Mol Weight 371.52 g/mol
Molecular Formula C26H29NO
Exact Mass 371.224915 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4WJRp37iB3n
Name Tamoxifen
CAS Registry Number 10540-29-1
Collision Energy 15 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Exact Mass 371.224914557 u
Formula C26H29NO
InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
InChIKey NKANXQFJJICGDU-QPLCGJKRSA-N
Instrument Name QStar XL, AB Sciex
Ion Polarity P
Ionization Type ESI+
Molecular Weight 371.524 g/mol
Nominal Mass 371 u
Precursor Ion [M+H]+
Precursor m/z 372.232
SMILES C1(OCCN(C)C)=CC=C(\C(=C\(CC)C2=CC=CC=C2)C2=CC=CC=C2)C=C1
Selected Ion Charge 1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
Technique Q-TOF
Wiley ID MSforID_+_911.1