Dataset

Sulcotrione

This MassBank record with Accession MSBNK-BAFG-CSL23111019002 contains the MS2 mass spectrum of Sulcotrione with the InChIkey PQTBTIFWAXVEPB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
SMILES CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl
InChI Key PQTBTIFWAXVEPB-UHFFFAOYSA-N
Molecular Formula C14H13ClO5S
Exact Mass 328.017 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111019002
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:57:00.542492
MetadataModified 2024-01-11T10:57:00.704932
MetadataPublished 2023-11-10
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables