| SpectraBase Spectrum ID |
CAbzznEoTFK |
| Name |
Benzoctamine |
| CAS Registry Number |
17243-39-9 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
249.151749616 u |
| Formula |
C18H19N |
| InChI |
InChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3 |
| InChIKey |
GNRXCIONJWKSEA-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
249.357 g/mol |
| Nominal Mass |
249 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
250.159 |
| SMILES |
N(C[C@]12CC[C@@](C=3C2=CC=CC3)(C=2C1=CC=CC2)[H])C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_93.2 |
