Frequentin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000135
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000135 contains the MS2 mass spectrum of Frequentin with the InChIkey MHZVWXOKIRZLCJ-XZQMCIKJSA-N.
Source: Frequentin
Chemical Info
| InChI | InChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,9-12,14,16,18H,2-3,8H2,1H3/b5-4+,7-6+/t10-,11+,12-,14-/m1/s1 |
|---|---|
| SMILES | CCC/C=C/C=C/[C@@H]1C[C@H]([C@H](C(=O)[C@H]1C=O)O)O |
| InChI Key | MHZVWXOKIRZLCJ-XZQMCIKJSA-N |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136 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 | 324a2579-b24b-4638-a681-baa03593d1c0 |
| Package id | msbnk-aafc-ac000135 |
| Resource type | HTML |
| State | active |