a-Linolenic acid (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001071
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001071 contains the MS2 mass spectrum of a-Linolenic acid (NMR) with the InChIkey DTOSIQBPPRVQHS-PDBXOOCHSA-N.
Source: a-Linolenic acid (NMR)
Chemical Info
| InChI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- |
|---|---|
| SMILES | OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O |
| InChI Key | DTOSIQBPPRVQHS-PDBXOOCHSA-N |
| Molecular Formula | C18H30O2 |
| Exact Mass | 278.225 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 | 26c1a456-48de-40f8-9d73-b9887dcc498b |
| Package id | msbnk-bs-bs001071 |
| Resource type | HTML |
| State | active |