(Methylsulfinyl)heptyl glucosinolate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309209
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR309209 contains the MS2 mass spectrum of (Methylsulfinyl)heptyl glucosinolate with the InChIkey LQZALQLZOQQFGM-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C15H29NO10S3/c1-28(21)8-6-4-2-3-5-7-11(16-26-29(22,23)24)27-15-14(20)13(19)12(18)10(9-17)25-15/h10,12-15,17-20H,2-9H2,1H3,(H,22,23,24) |
|---|---|
| SMILES | O=S(C)CCCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1(O) |
| InChI Key | LQZALQLZOQQFGM-UHFFFAOYSA-N |
| Molecular Formula | C15H29NO10S3 |
| Exact Mass | 479.589 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 | 29abf1f2-360b-494f-8174-da9a9f4cc2e2 |
| Package id | msbnk-riken-pr309209 |
| Resource type | HTML |
| State | active |