12-HEPE
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT000025
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT000025 contains the MS2 mass spectrum of 12-HEPE with the InChIkey MCRJLMXYVFDXLS-UOLHMMFFSA-N.
Source: 12-HEPE
Chemical Info
| InChI | InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1 |
|---|---|
| SMILES | CCC=CCC=CCC(O)C=CC=CCC=CCCCC(O)=O |
| InChI Key | MCRJLMXYVFDXLS-UOLHMMFFSA-N |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219 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 | 1a6743b1-b5cf-446c-a0a9-baa8952b99ba |
| Package id | msbnk-chubu_univ-ut000025 |
| Resource type | HTML |
| State | active |