Hydroxybenzoylecgonine
741
Reference
Hydroxybenzoylecgonine Structure
Systematic / IUPAC Name: 3-[(3-Hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
ID: Reference741
Other Names: (1R,2R,3S,5S)-3-((3-Hydroxybenzoyl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Formula: C16H19NO5
Class: Drugs of Abuse/Illegal Drugs
Spectral Data
Hydroxybenzoylecgonine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 62 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/3/2015 10:55:03 AM |
Identificators
| InChI | InChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1 |
| InChI Key | XCJJCRPRQYXLRE-AHLTXXRQSA-N |
| Canonical SMILES | |
| CAS | 129944996 |
| Splash | |
| Other Names | (1R,2R,3S,5S)-3-((3-Hydroxybenzoyl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid |