| SpectraBase Spectrum ID |
BJ3aoQHByGg |
| Name |
Bisoprolol |
| CAS Registry Number |
66722-44-9 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
325.225308478 u |
| Formula |
C18H31NO4 |
| InChI |
InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 |
| InChIKey |
VHYCDWMUTMEGQY-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
325.449 g/mol |
| Nominal Mass |
325 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
326.233 |
| SMILES |
OC(CNC(C)C)COC1=CC=C(COCCOC(C)C)C=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_110.5 |
