Dataset

3-METHYL-2-PROPYLCYCLOPENT-2-EN-1-ONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001127 contains the MS mass spectrum of 3-METHYL-2-PROPYLCYCLOPENT-2-EN-1-ONE with the InChIkey IAGSPEBQNJDWDZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H14O/c1-3-4-8-7(2)5-6-9(8)10/h3-6H2,1-2H3
SMILES CCCC(=C(C)1)C(=O)CC1
InChI Key IAGSPEBQNJDWDZ-UHFFFAOYSA-N
Molecular Formula C9H14O
Exact Mass 138.104 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-JP001127
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:22.534939
MetadataModified 2024-01-11T15:57:22.694585
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11423630 PubChem
SCHEMBL10385817 SureChEMBL
J45.295E Nikkaji
DTXSID40465336 EPA CompTox Dashboard
16520363 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.