| SpectraBase Spectrum ID |
9YLmrbrxrQW |
| Name |
Ecgonine |
| CAS Registry Number |
481-37-8 |
| Collision Energy |
45 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
185.105193344 u |
| Formula |
C9H15NO3 |
| InChI |
InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8?/m0/s1 |
| InChIKey |
PHMBVCPLDPDESM-UWWAEOQPSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
185.223 g/mol |
| Nominal Mass |
185 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
186.113 |
| SMILES |
O[C@]1(C[C@@]2(N([C@](C1C(O)=O)(CC2)[H])C)[H])[H] |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_323.8 |
