Dataset

2-Hydroxy-2-methylpropiophenone

This MassBank record with Accession MSBNK-Athens_Univ-AU506804 contains the MS2 mass spectrum of 2-Hydroxy-2-methylpropiophenone with the InChIkey XMLYCEVDHLAQEL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3
SMILES CC(C)(C(=O)C1=CC=CC=C1)O
InChI Key XMLYCEVDHLAQEL-UHFFFAOYSA-N
Molecular Formula C10H12O2
Exact Mass 164.084 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-AU506804
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:05:01.898776
MetadataModified 2025-02-08T19:11:02.470638
MetadataPublished 2021-04-20
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J30.899D Nikkaji
81984 PubChem
CHEMBL3187850 ChEMBL
Z0LRG273AD FDA SRS
126038-32-2 ACToR
7473-98-5 ACToR
505172 eMolecules
SCHEMBL21310 SureChEMBL
15141018 PubChem: Thomson Pharma
216274 Brenda
DTXSID8044830 EPA CompTox Dashboard
ZINC000000395568 ZINC
CB0150675 ChemicalBook
The data in this table is sourced from UniChem at EBI.