Dataset

Hexythiazox

This MassBank record with Accession MSBNK-Eawag-EQ00352704 contains the MS2 mass spectrum of Hexythiazox with the InChIkey XGWIJUOSCAQSSV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)
SMILES CC1C(SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl
InChI Key XGWIJUOSCAQSSV-UHFFFAOYSA-N
Molecular Formula C17H21ClN2O2S
Exact Mass 352.101 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00352704
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:54:00.586271
MetadataModified 2025-02-09T09:54:00.793259
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL53695 SureChEMBL
PD085524 ProbesDrugs
4560140 PubChem
HMDB0253168 Human Metabolome Database
J3.005.230G Nikkaji
The data in this table is sourced from UniChem at EBI.