| SpectraBase Spectrum ID |
3AfeB6uVlzv |
| Name |
Phenylbutazone |
| CAS Registry Number |
50-33-9 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
308.152477890 u |
| Formula |
C19H20N2O2 |
| InChI |
InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 |
| InChIKey |
VYMDGNCVAMGZFE-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
308.381 g/mol |
| Nominal Mass |
308 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
309.16 |
| SMILES |
C1(=O)N(N(C(=O)C1CCCC)C1=CC=CC=C1)C1=CC=CC=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
4-butyl-1,2-diphenylpyrazolidine-3,5-dione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_740.4 |
