4-Methylthiobutyl glucosinolate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307191
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307191 contains the MS2 mass spectrum of 4-Methylthiobutyl glucosinolate with the InChIkey GKUMMDFLKGFCKH-UHFFFAOYSA-N.
Source: 4-Methylthiobutyl glucosinolate
Chemical Info
| InChI | InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20) |
|---|---|
| SMILES | CSCCCCC(SC1OC(CO)C(O)C(O)C1O)=NOS(O)(=O)=O |
| InChI Key | GKUMMDFLKGFCKH-UHFFFAOYSA-N |
| Molecular Formula | C12H23NO9S3 |
| Exact Mass | 421.509 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | bd27aad1-697e-4195-9b6a-1f74e1b6dec0 |
| Package id | msbnk-riken-pr307191 |
| Resource type | HTML |
| State | active |