| SpectraBase Spectrum ID |
7Yf1aOpG3HT |
| Name |
Quinidine |
| CAS Registry Number |
56-54-2 |
| Collision Energy |
20 eV |
| Comments |
Compound with almost identical fragmentation pattern: quinine, C20H24N2O2, 130-95-0 |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
324.183778019 u |
| Formula |
C20H24N2O2 |
| InChI |
InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19?,20+/m0/s1 |
| InChIKey |
LOUPRKONTZGTKE-OOXNXYBBSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
324.424 g/mol |
| Nominal Mass |
324 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
325.191 |
| SMILES |
O[C@@](C1N2C[C@@]([C@@](C1)(CC2)[H])(C=C)[H])(C1=C2C(=NC=C1)C=CC(OC)=C2)[H] |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_831.11 |
