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3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid propyl ester
SpectraBase Compound ID FgOxwZgEuNG
InChI InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3
InChIKey ROSXARVHJNYYDO-UHFFFAOYSA-N
Mol Weight 447.01 g/mol
Molecular Formula C10H11I2NO3
Exact Mass 446.882833 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5WL3d9keRaK
Name Propyliodone
CAS Registry Number 587-61-1
Collision Energy 45 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Exact Mass 446.882833215 u
Formula C10H11I2NO3
InChI InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3
InChIKey ROSXARVHJNYYDO-UHFFFAOYSA-N
Instrument Name QStar XL, AB Sciex
Ion Polarity P
Ionization Type ESI+
Molecular Weight 447.011 g/mol
Nominal Mass 447 u
Precursor Ion [M+H]+
Precursor m/z 447.89
SMILES C1(I)=CN(CC(OCCC)=O)C=C(I)C1=O
Selected Ion Charge 1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms propyl 2-(3,5-diiodo-4-oxopyridin-1-yl)acetate
Technique Q-TOF
Wiley ID MSforID_+_807.8