| SpectraBase Spectrum ID |
GCM2qpAcq2T |
| Name |
Ketophenylbutazone |
| CAS Registry Number |
853-34-9 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
322.131742445 u |
| Formula |
C19H18N2O3 |
| InChI |
InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3 |
| InChIKey |
LGYTZKPVOAIUKX-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
322.364 g/mol |
| Nominal Mass |
322 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
323.139 |
| SMILES |
C1(=O)N(N(C(=O)C1CCC(=O)C)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-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_459.4 |
