| SpectraBase Spectrum ID |
LkYV8LBbD3P |
| Name |
Ecgoninemethylester TFA |
| Classification |
Cocaine metabolite derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
295.103142484 u |
| Formula |
C12H16F3NO4 |
| InChI |
InChI=1S/C12H16F3NO4/c1-16-6-3-4-7(16)9(10(17)19-2)8(5-6)20-11(18)12(13,14)15/h6-9H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1 |
| InChIKey |
OGSRFDGGWRHBFV-UYXSQOIJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
295.258 g/mol |
| Nominal Mass |
295 u |
| Quality |
998 |
| Retention Index |
2255 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(C(F)(F)F)=O)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-001i-9510000000-340d637f0e40c862ffb7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Cocaine-M TFA
methyl 8-methyl-3-((trifluoroacetyl)oxy)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032060 |
