| SpectraBase Spectrum ID |
2oAdNZwyHCq |
| Name |
Reserpine-M ME |
| CAS Registry Number |
1916-07-0 |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
226.084123546 u |
| Formula |
C11H14O5 |
| InChI |
InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3 |
| InChIKey |
KACHFMOHOPLTNX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
226.228 g/mol |
| Nominal Mass |
226 u |
| Quality |
878 |
| Retention Index |
1617 |
| SMILES |
C=1(C(=CC(=CC1OC)C(OC)=O)OC)OC |
| SPLASH |
splash10-004i-5960000000-d206618ad0e1d6faf2bd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4,5-Trimethoxy-benzoic acid methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005291 |
