| SpectraBase Spectrum ID |
HpoedYDNFzN |
| Name |
Tetrabenazine |
| CAS Registry Number |
58-46-8 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
317.199093730 u |
| Formula |
C19H27NO3 |
| InChI |
InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3 |
| InChIKey |
MKJIEFSOBYUXJB-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
317.429 g/mol |
| Nominal Mass |
317 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
318.206 |
| SMILES |
C1(=O)C(CN2C(C1)C=1C(CC2)=CC(OC)=C(OC)C1)CC(C)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_922.7 |
