Dataset

(2S)-2-Hydroxy-3-butenyl-glucosinolate

This MassBank record with Accession MSBNK-RIKEN-PR307264 contains the MS2 mass spectrum of (2S)-2-Hydroxy-3-butenyl-glucosinolate with the InChIkey MYHSVHWQEVDFQT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)
SMILES OCC1OC(SC(CC(O)C=C)=NOS(O)(=O)=O)C(O)C(O)C1O
InChI Key MYHSVHWQEVDFQT-UHFFFAOYSA-N
Molecular Formula C11H19NO10S2
Exact Mass 389.400 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-PR307264
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:40:25.021907
MetadataModified 2025-02-09T18:25:10.260476
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4480096 PubChem
The data in this table is sourced from UniChem at EBI.