| SpectraBase Spectrum ID |
69iP630fs97 |
| Name |
Warfarin |
| CAS Registry Number |
81-81-2 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
308.104858991 u |
| Formula |
C19H16O4 |
| InChI |
InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3 |
| InChIKey |
QTXVAVXCBMYBJW-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
308.333 g/mol |
| Nominal Mass |
308 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
309.112 |
| SMILES |
OC=1OC=2C(C(=O)C1C(CC(=O)C)C1=CC=CC=C1)=CC=CC2 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_1006.10 |
