| SpectraBase Spectrum ID |
6QiI5a4xkuk |
| Name |
Neopsicaine |
| CAS Registry Number |
69343-45-9 |
| Collision Energy |
45 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
332.186183317 u |
| Formula |
C19H26NO4 |
| InChI |
InChI=1S/C19H25NO4/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,14-17H,3,9-12H2,1-2H3/p+1 |
| InChIKey |
VNLZTPINKMHMPX-UHFFFAOYSA-O |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
332.420 g/mol |
| Nominal Mass |
332 u |
| Precursor Ion |
[M]+ |
| Precursor m/z |
332.186 |
| SMILES |
C1(OC(=O)C2=CC=CC=C2)C([C@]2([NH+]([C@](CC2)(C1)[H])C)[H])C(OCCC)=O |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
propyl 3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate chloride |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_622.8 |
