Dataset

Triallate

This MassBank record with Accession MSBNK-Athens_Univ-AU262702 contains the MS2 mass spectrum of Triallate with the InChIkey MWBPRDONLNQCFV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3
SMILES CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl
InChI Key MWBPRDONLNQCFV-UHFFFAOYSA-N
Molecular Formula C10H16Cl3NOS
Exact Mass 303.002 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU262702
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:56:14.099610
MetadataModified 2025-02-08T19:04:16.979937
MetadataPublished 2019-05-30
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J3.706K Nikkaji
HY-119435 MedChemExpress
HMDB0259144 Human Metabolome Database
81978 ChEBI
ZINC000001590916 ZINC
DTXSID5024344 EPA CompTox Dashboard
CB1745421 ChemicalBook
CHEMBL1884767 ChEMBL
C18813 KEGG Ligand
5543 PubChem
2303-17-5 ACToR
14898592 PubChem: Thomson Pharma
LSM-25662 LINCS
A9S097HS99 FDA SRS
510295 eMolecules
SCHEMBL62793 SureChEMBL
The data in this table is sourced from UniChem at EBI.