Dataset

3-CHLOROPHENOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000023 contains the MS mass spectrum of 3-CHLOROPHENOL with the InChIkey HORNXRXVQWOLPJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
SMILES	Oc(c1)cc(Cl)cc1
InChI Key	HORNXRXVQWOLPJ-UHFFFAOYSA-N
Molecular Formula	C6H5ClO
Exact Mass	128.003 g/mol

Data and Resources

3-CHLOROPHENOLHTML
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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-JP000023
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:49.073831
MetadataModified	2024-01-11T15:56:49.287543
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-4606705291	Mcule
J368I	Nikkaji
10015948	NMRShiftDB
38855	ChEBI
QAMVEG	CCDC
15146598	PubChem: Thomson Pharma
7933	PubChem
108-43-0	ACToR
Z2Z7M2FTAD	FDA SRS
SCHEMBL49772	SureChEMBL
PD008270	ProbesDrugs
2259	Brenda
CB7740938	ChemicalBook
50167952	BindingDB
ZINC000000404329	ZINC
DTXSID4024800	EPA CompTox Dashboard
12599	Brenda
3CH	PDBe
DB01957	DrugBank
C14270	KEGG Ligand
CHEMBL41172	ChEMBL
492611	eMolecules
The data in this table is sourced from UniChem at EBI.