| SpectraBase Spectrum ID |
9FQYva1NehF |
| Name |
Bumadizone |
| CAS Registry Number |
3583-64-0 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
326.163042573 u |
| Formula |
C19H22N2O3 |
| InChI |
InChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24) |
| InChIKey |
FLWFHHFTIRLFPV-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
326.396 g/mol |
| Nominal Mass |
326 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
325.156 |
| SMILES |
N(N(C(C(C(O)=O)CCCC)=O)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 |
2-[anilino(phenyl)carbamoyl]hexanoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_35.7 |
