13-Episclareol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-NGA00935
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA00935 contains the MS2 mass spectrum of 13-Episclareol with the InChIkey XVULBTBTFGYVRC-FFADBYAMSA-N.
Source: 13-Episclareol; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
Chemical Info
| InChI | InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15?,16-,18+,19+,20-/m1/s1 |
|---|---|
| SMILES | C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O |
| InChI Key | XVULBTBTFGYVRC-FFADBYAMSA-N |
| Exact Mass | 308.509 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 4.0 International (CC BY 4.0) |
| Id | 3339bc9a-dfb7-4895-b3e1-bafa7f941aa0 |
| Package id | msbnk-riken_npdepo-nga00935 |
| Resource type | HTML |
| State | active |