Mellein
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000003
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000003 contains the MS2 mass spectrum of Mellein with the InChIkey KWILGNNWGSNMPA-UHFFFAOYSA-N.
Source: Mellein
Chemical Info
| InChI | InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3 |
|---|---|
| SMILES | CC1CC2=C(C(=CC=C2)O)C(=O)O1 |
| InChI Key | KWILGNNWGSNMPA-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.063 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | b0d6e1b3-49f7-4a48-8662-4ae4b2f6333b |
| Package id | msbnk-aafc-ac000003 |
| Resource type | HTML |
| State | active |