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 |