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
34Y6E0063Y FDA SRS
81796 ChEBI
DTXSID2032348 EPA CompTox Dashboard
J3.056B Nikkaji
SCHEMBL18961 SureChEMBL
HMDB0250120 Human Metabolome Database
19402 PubChem
15424503 PubChem: Thomson Pharma
3691-35-8 ACToR
10089 Brenda
C18514 KEGG Ligand
CHEMBL1874081 ChEMBL
509654 eMolecules
The data in this table is sourced from UniChem at EBI.