Dataset

HUMULENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007579 contains the MS mass spectrum of HUMULENE with the InChIkey FAMPSKZZVDUYOS-HRGUGZIWSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
SMILES	[H]C(C1)=C(C)CC([H])=C([H])C(C)(C)CC([H])=C(C)C1
InChI Key	FAMPSKZZVDUYOS-HRGUGZIWSA-N
Molecular Formula	C15H24
Exact Mass	204.188 g/mol

Data and Resources

HUMULENEHTML

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Related Molecule ⌄

(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

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-JP007579
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEBI:5768	chebi
LMPR0103110001	lipidmaps
V8Z	rcsb_pdb
CHEMBL251280	chembl
106386	surechembl
5281520	pubchem
54W56MD2WD	fdasrs
ZURVOA	CCDC
12175	brenda
V8Z - Ideal conformer	pdbe
HMDB0036467	hmdb
Molport-003-936-163	molport
The data in this table is sourced from UniChem at EBI.