Dataset

2-PROPYLCYCLOHEXANONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006954 contains the MS mass spectrum of 2-PROPYLCYCLOHEXANONE with the InChIkey OCJLPZCBZSCVCO-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h8H,2-7H2,1H3
SMILES	CCCC(C1)C(=O)CCC1
InChI Key	OCJLPZCBZSCVCO-UHFFFAOYSA-N
Molecular Formula	C9H16O
Exact Mass	140.120 g/mol

Data and Resources

2-PROPYLCYCLOHEXANONEHTML

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Related Molecule ⌄

2-propylcyclohexan-1-one

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-JP006954
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	2-propylcyclohexan-1-one

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
20207518	NMRShiftDB
94-65-5	ACToR
16166084	PubChem: Thomson Pharma
64870-42-4	ACToR
SCHEMBL420230	SureChEMBL
35314	Brenda
J113.867G	Nikkaji
137224	Brenda
DTXSID20870429	EPA CompTox Dashboard
6221053	eMolecules
7199	PubChem
The data in this table is sourced from UniChem at EBI.