Dataset

4-Methylthiobutyl glucosinolate

This MassBank record with Accession MSBNK-RIKEN-PR307187 contains the MS2 mass spectrum of 4-Methylthiobutyl glucosinolate with the InChIkey GKUMMDFLKGFCKH-UHFFFAOYSA-N.

Chemical Info

molecular Image
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

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-PR307187
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:37.368079
MetadataModified 2024-01-11T20:43:37.541586
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4479893 PubChem
The data in this table is sourced from UniChem at EBI.