| SpectraBase Spectrum ID |
VtXOwQ0940 |
| Name |
Brucine |
| CAS Registry Number |
357-57-3 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
394.189257321 u |
| Formula |
C23H26N2O4 |
| InChI |
InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3 |
| InChIKey |
RRKTZKIUPZVBMF-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
394.471 g/mol |
| Nominal Mass |
394 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
395.197 |
| SMILES |
C12OCC=C3CN4C5C6(C=7C(N(C6C2C3C5)C(=O)C1)=CC(=C(C7)OC)OC)CC4 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_122.4 |
