Pelargonidin-3-O-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302645
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302645 contains the MS2 mass spectrum of Pelargonidin-3-O-glucoside with the InChIkey ABVCUBUIXWJYSE-GQUPQBGVSA-O.
Source: Pelargonidin-3-O-glucoside
Chemical Info
| InChI | InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1 |
|---|---|
| SMILES | OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI Key | ABVCUBUIXWJYSE-GQUPQBGVSA-O |
| Molecular Formula | [C21H21O10]+ |
| Exact Mass | 433.389 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 7c70ee61-6176-4e52-b564-5a92015458d1 |
| Package id | msbnk-riken-pr302645 |
| Resource type | HTML |
| State | active |