Dataset

2-METHYLCYCLOHEXAN-1,3-DIONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006347 contains the MS mass spectrum of 2-METHYLCYCLOHEXAN-1,3-DIONE with the InChIkey VSGJHHIAMHUZKF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3
SMILES O=C(C1)C(C)C(=O)CC1
InChI Key VSGJHHIAMHUZKF-UHFFFAOYSA-N
Molecular Formula C7H10O2
Exact Mass 126.068 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-JP006347
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:25:47.326716
MetadataModified 2025-02-09T11:42:52.241959
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70945 PubChem
PD020604 ProbesDrugs
15321321 PubChem: Thomson Pharma
SCHEMBL677600 SureChEMBL
1193-55-1 ACToR
528482 eMolecules
ZINC000100001009 ZINC
CB3214752 ChemicalBook
DTXSID90152406 EPA CompTox Dashboard
70V PDBe
22772 BindingDB
MCULE-6372223277 Mcule
J183.672B Nikkaji
CHEMBL191688 ChEMBL
The data in this table is sourced from UniChem at EBI.