Scopoletin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003272
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003272 contains the MS2 mass spectrum of Scopoletin with the InChIkey RODXRVNMMDRFIK-UHFFFAOYSA-N.
Source: Scopoletin
Chemical Info
| InChI | InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
|---|---|
| SMILES | C(OC1=C(C(=C2C(=C1[H])C(=C(C(=O)O2)[H])[H])[H])O[H])([H])([H])[H] |
| InChI Key | RODXRVNMMDRFIK-UHFFFAOYSA-N |
| Molecular Formula | C10H8O4 |
| Exact Mass | 192.042 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 | 94b3f04d-29e8-4132-90bd-d88422486c21 |
| Package id | msbnk-bs-bs003272 |
| Resource type | HTML |
| State | active |