MassBank of North America

Spectrum MoNA041619 for 2-hydroxy-5 (6)epoxy-tetrahydrocaryophyllene

Rating: ★★★☆☆

SPLASH:
splash10-0api-9600000000-55c4f62f05fee5406df1
Submitter:
Elys Rodriguez

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Kingdom
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Organic compounds
- Superclass
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  Lipids and lipid-like molecules
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    Prenol lipids
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      Sesquiterpenoids

Compound Metadata

Name	Value
InChI Create New Query Add to Query	InChI=1S/C15H26O2/c1-13(2)9-11-10(13)5-8-15(4)12(17-15)6-7-14(11,3)16/h10-12,16H,5-9H2,1-4H3
InChIKey Create New Query Add to Query	KGYCKUADVHYVLM-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C15H26O2
total exact mass Create New Query Add to Query	238.193280072
SMILES Create New Query Add to Query	OC1(C)CCC2OC2(C)CCC3C1CC3(C)C

Mass Spectral Metadata

Name	Value
ms level Create New Query Add to Query	MS2
sample introduction Create New Query Add to Query	Liquid Chromatography (LC)
ionization Create New Query Add to Query	Electrospray Ionization (ESI)
author Create New Query Add to Query	Elys Rodriguez
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	3.0897801309146287
normalized entropy Create New Query Add to Query	0.862219562385179
precursor m/z Create New Query Add to Query	239.2007
precursor type Create New Query Add to Query	[M+H]
mass accuracy Create New Query Add to Query	2.2996253772734896 ppm
mass error Create New Query Add to Query	-5.500719999815828E-4 Da