For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzylephedrine
SpectraBase Compound ID 3o3PBW7ofuN
InChI InChI=1S/C17H21NO/c1-14(18-2)17(16-11-7-4-8-12-16)19-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3
InChIKey PSMVWPRPCJHGOW-UHFFFAOYSA-N
Mol Weight 255.36 g/mol
Molecular Formula C17H21NO
Exact Mass 255.162314 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2qlsRa3mWum
Name Benzylephedrine
CAS Registry Number 90-85-7
Collision Energy 25 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Exact Mass 255.162314299 u
Formula C17H21NO
InChI InChI=1S/C17H21NO/c1-14(18-2)17(16-11-7-4-8-12-16)19-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3
InChIKey PSMVWPRPCJHGOW-UHFFFAOYSA-N
Instrument Name QStar XL, AB Sciex
Ion Polarity P
Ionization Type ESI+
Molecular Weight 255.361 g/mol
Nominal Mass 255 u
Precursor Ion [M+H]+
Precursor m/z 256.17
SMILES N(C(C(OCC1=CC=CC=C1)C1=CC=CC=C1)C)C
Selected Ion Charge 1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms N-methyl-1-phenyl-1-phenylmethoxypropan-2-amine
Technique Q-TOF
Wiley ID MSforID_+_97.4