| SpectraBase Spectrum ID |
1NWr9ZL99aD |
| Name |
Bunitrolol |
| CAS Registry Number |
34915-68-9 |
| Collision Energy |
35 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
248.152477890 u |
| Formula |
C14H20N2O2 |
| InChI |
InChI=1S/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3 |
| InChIKey |
VCVQSRCYSKKPBA-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
248.326 g/mol |
| Nominal Mass |
248 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
249.16 |
| SMILES |
OC(CNC(C)(C)C)COC=1C(=CC=CC1)C#N |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_131.6 |
