| SpectraBase Spectrum ID |
8FKzFVgqKDg |
| Name |
Levodopa |
| CAS Registry Number |
587-45-1 |
| Classification |
Pharmaceutical drug, antiparkinsonian |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
197.068807834 u |
| Formula |
C9H11NO4 |
| InChI |
InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1 |
| InChIKey |
WTDRDQBEARUVNC-ZCFIWIBFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
197.190 g/mol |
| Nominal Mass |
197 u |
| Quality |
934 |
| SMILES |
OC1=C(C=C(C[C@](C(=O)O)(N)[H])C=C1)O |
| SPLASH |
splash10-00di-9700000000-43e5e41ce784194b1fd4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-Dihydroxy-1-phenylalanine
(2S)-2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid |
| Technique |
DI/MS |
| Wiley ID |
DD2024_001820 |
