Dataset

4-HIDROXY-7-CHLORO BENZOPYLIMIDINE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002938 contains the MS mass spectrum of 4-HIDROXY-7-CHLORO BENZOPYLIMIDINE with the InChIkey PMLONMIODRHERC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
SMILES Oc(n2)c(c1)c(nc2)cc(Cl)c1
InChI Key PMLONMIODRHERC-UHFFFAOYSA-N
Molecular Formula C8H5ClN2O
Exact Mass 180.009 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP002938
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:25:53.190859
MetadataModified 2025-02-09T11:46:45.010333
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1601889 ChEMBL
30686 BindingDB
DTXSID30286178 EPA CompTox Dashboard
J47.618H Nikkaji
135416175 PubChem
MCULE-3727866614 Mcule
CB0470643 ChemicalBook
ZINC000008578823 ZINC
978518 eMolecules
835223 eMolecules
16581890 PubChem: Thomson Pharma
46531680 PubChem: Thomson Pharma
31374-18-2 ACToR
SCHEMBL643424 SureChEMBL
The data in this table is sourced from UniChem at EBI.