Dataset

2-HYDROXYACETOPHENONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005722 contains the MS mass spectrum of 2-HYDROXYACETOPHENONE with the InChIkey JECYUBVRTQDVAT-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
SMILES	CC(=O)c(c1)c(O)ccc1
InChI Key	JECYUBVRTQDVAT-UHFFFAOYSA-N
Molecular Formula	C8H8O2
Exact Mass	136.052 g/mol

Data and Resources

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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-JP005722
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:38.189717
MetadataModified	2024-01-11T15:55:38.374517
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
519084	eMolecules
14867292	PubChem: Thomson Pharma
PD087971	ProbesDrugs
3E533Z76W0	FDA SRS
118-93-4	ACToR
MCULE-6901537094	Mcule
CHEMBL3187012	ChEMBL
8375	PubChem
J5.308B	Nikkaji
10008796	NMRShiftDB
2'-HYDROXYACETOPHENONE	rxnorm
HY-Y1426	MedChemExpress
DTXSID7040285	EPA CompTox Dashboard
145716	ChEBI
ZINC000001699884	ZINC
75842	Brenda
CB5421761	ChemicalBook
50140214	BindingDB
CB8421762	ChemicalBook
HMDB0032568	Human Metabolome Database
SCHEMBL40865	SureChEMBL
The data in this table is sourced from UniChem at EBI.