Dataset

Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS107910 contains the MS2 mass spectrum of Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate with the InChIkey CKIJIGYDFNXSET-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)
SMILES C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O
InChI Key CKIJIGYDFNXSET-UHFFFAOYSA-N
Molecular Formula C15H21NO9S2
Exact Mass 423.461 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS107910
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:08:03.970322
MetadataModified 2025-02-09T19:13:54.869213
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4379664 PubChem
The data in this table is sourced from UniChem at EBI.