Dataset

O-BROMOPHENOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006757 contains the MS mass spectrum of O-BROMOPHENOL with the InChIkey VADKRMSMGWJZCF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
SMILES	Oc(c1)c(Br)ccc1
InChI Key	VADKRMSMGWJZCF-UHFFFAOYSA-N
Molecular Formula	C6H5BrO
Exact Mass	171.952 g/mol

Data and Resources

O-BROMOPHENOLHTML
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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-JP006757
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:25:31.965380
MetadataModified	2025-02-09T12:05:02.556316
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB04586	DrugBank
50150783	BindingDB
DTXSID8052641	EPA CompTox Dashboard
PIHYOU	CCDC
J3.565C	Nikkaji
ZINC000000388200	ZINC
34264	ChEBI
10828	Brenda
C14841	KEGG Ligand
CHEMBL186007	ChEMBL
2BR	PDBe
14891782	PubChem: Thomson Pharma
32762-51-9	ACToR
95-56-7	ACToR
SCHEMBL49313	SureChEMBL
A0UB206YF0	FDA SRS
PD005986	ProbesDrugs
480528	eMolecules
HMDB0032059	Human Metabolome Database
CB7854701	ChemicalBook
7244	PubChem
20028193	NMRShiftDB
MCULE-5590917057	Mcule
The data in this table is sourced from UniChem at EBI.