13-HPODE
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT000064
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT000064 contains the MS2 mass spectrum of 13-HPODE with the InChIkey JDSRHVWSAMTSSN-WWYDAZRDSA-N.
Source: 13-HPODE
Chemical Info
| InChI | InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7?,15-12+ |
|---|---|
| SMILES | CCCCCC(OO)C=CC=CCCCCCCCC(O)=O |
| InChI Key | JDSRHVWSAMTSSN-WWYDAZRDSA-N |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.230 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 | 844b4991-32a1-47f0-9f70-e0fdd7430036 |
| Package id | msbnk-chubu_univ-ut000064 |
| Resource type | HTML |
| State | active |