Dataset

PCB 138

This MassBank record with Accession MSBNK-Athens_Univ-AU592217 contains the MS2 mass spectrum of PCB 138 with the InChIkey RPUMZMSNLZHIGZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H
SMILES ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1
InChI Key RPUMZMSNLZHIGZ-UHFFFAOYSA-N
Molecular Formula C12H4Cl6
Exact Mass 357.844 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-AU592217
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:04:56.265321
MetadataModified 2025-02-08T19:08:34.201230
MetadataPublished 2019-11-21
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15166453 PubChem: Thomson Pharma
37035 PubChem
35065-28-2 ACToR
31216748 eMolecules
ZINC000002516092 ZINC
7Y6JIG1867 FDA SRS
SCHEMBL4459622 SureChEMBL
20096467 NMRShiftDB
165219 ChEBI
HMDB0246191 Human Metabolome Database
DTXSID8038300 EPA CompTox Dashboard
J126.398F Nikkaji
The data in this table is sourced from UniChem at EBI.