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Papaverine
SpectraBase Compound ID ImvFf83jjtM
InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
InChIKey XQYZDYMELSJDRZ-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID KKRl2UpapAS
Name Papaverine
CAS Registry Number 58-74-2
Collision Energy 40 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Exact Mass 339.147058156 u
Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
InChIKey XQYZDYMELSJDRZ-UHFFFAOYSA-N
Instrument Name QStar XL, AB Sciex
Ion Polarity P
Ionization Type ESI+
Molecular Weight 339.391 g/mol
Nominal Mass 339 u
Precursor Ion [M+H]+
Precursor m/z 340.154
SMILES C=1(OC)C=C2C(=NC=CC2=CC1OC)CC1=CC(OC)=C(OC)C=C1
Selected Ion Charge 1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Technique Q-TOF
Wiley ID MSforID_+_701.7