Dataset

Chlorophacinone

This MassBank record with Accession MSBNK-Waters-WA002785 contains the MS mass spectrum of Chlorophacinone with the InChIkey UDHXJZHVNHGCEC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H
SMILES Clc(c4)ccc(c4)C(c(c3)cccc3)C(=O)C(C(=O)1)C(=O)c(c2)c(ccc2)1
InChI Key UDHXJZHVNHGCEC-UHFFFAOYSA-N
Molecular Formula C23H15ClO3
Exact Mass 374.071 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-Waters-WA002785
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:18.779004
MetadataModified 2024-01-11T22:50:18.938923
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18514 KEGG Ligand
CHEMBL1874081 ChEMBL
509654 eMolecules
19402 PubChem
15424503 PubChem: Thomson Pharma
3691-35-8 ACToR
J3.056B Nikkaji
HMDB0250120 Human Metabolome Database
SCHEMBL18961 SureChEMBL
DTXSID2032348 EPA CompTox Dashboard
34Y6E0063Y FDA SRS
81796 ChEBI
10089 Brenda
The data in this table is sourced from UniChem at EBI.