Dataset

(Methylsulfinyl)butyl glucosinolate

This MassBank record with Accession MSBNK-RIKEN-PR309204 contains the MS2 mass spectrum of (Methylsulfinyl)butyl glucosinolate with the InChIkey GMMLNKINDDUDCF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)
SMILES O=S(C)CCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1(O)
InChI Key GMMLNKINDDUDCF-UHFFFAOYSA-N
Molecular Formula C12H23NO10S3
Exact Mass 437.508 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309204
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:04.003184
MetadataModified 2024-01-11T20:44:04.160779
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD047714 ProbesDrugs
4479912 PubChem
HMDB0259647 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.