| SpectraBase Spectrum ID |
BiLH6FPT7Z0 |
| Name |
Norcocaine |
| CAS Registry Number |
18717-72-1 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
289.131408092 u |
| Formula |
C16H19NO4 |
| InChI |
InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1 |
| InChIKey |
AYDBLCSLKNTEJL-CLRIEMFWSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
289.331 g/mol |
| Nominal Mass |
289 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
290.139 |
| SMILES |
N1[C@@]2(CC[C@]1(C[C@@]([C@@]2(C(=O)OC)[H])(OC(=O)C1=CC=CC=C1)[H])[H])[H] |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_656.7 |
