Dataset

2-ALLYL-6-METHYLCYCLOHEXANONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002320 contains the MS mass spectrum of 2-ALLYL-6-METHYLCYCLOHEXANONE with the InChIkey AGKHZTYZZUCRAM-UHFFFAOYSA-N.

Chemical Information

Molecular Image

InChI	InChI=1S/C10H16O/c1-3-5-9-7-4-6-8(2)10(9)11/h3,8-9H,1,4-7H2,2H3
SMILES	C=CCC(C1)C(=O)C(C)CC1
InChI Key	AGKHZTYZZUCRAM-UHFFFAOYSA-N
Molecular Formula	C10H16O
Exact Mass	152.120 g/mol

Data and Resources

2-ALLYL-6-METHYLCYCLOHEXANONEHTML

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Related Molecule ⌄

2-methyl-6-prop-2-enylcyclohexan-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-JP002320
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	2-methyl-6-prop-2-enylcyclohexan-1-one

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12619395	pubchem
DTXSID90504562	comptox
The data in this table is sourced from UniChem at EBI.