Dataset

Ajoene (not validated)

This MassBank record with Accession MSBNK-RIKEN-PR311164 contains the MS2 mass spectrum of Ajoene (not validated) with the InChIkey IXELFRRANAOWSF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2
SMILES O=S(CC=C)CC=CSSCC=C
InChI Key IXELFRRANAOWSF-UHFFFAOYSA-N
Molecular Formula C9H14OS3
Exact Mass 234.405 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-PR311164
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:46:38.061949
MetadataModified 2025-02-09T18:29:14.067603
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
72373 PubChem
DTXSID10893965 EPA CompTox Dashboard
PD148892 ProbesDrugs
The data in this table is sourced from UniChem at EBI.