| SpectraBase Spectrum ID |
DiOTSxibCmS |
| Name |
Iodoalphionic acid |
| CAS Registry Number |
577-91-3 |
| Collision Energy |
10 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
493.887584243 u |
| Formula |
C15H12I2O3 |
| InChI |
InChI=1S/C15H12I2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-5,7-8,11,18H,6H2,(H,19,20) |
| InChIKey |
IKYIXZSIKOYSLD-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
494.067 g/mol |
| Nominal Mass |
494 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
492.88 |
| SMILES |
OC(C(CC=1C=C(C(O)=C(C1)I)I)C1=CC=CC=C1)=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_107.1 |
