Dataset

BORNYL PENTANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006510 contains the MS mass spectrum of BORNYL PENTANOATE with the InChIkey ILUAVCBOWYHFAI-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3
SMILES	CCCCC(=O)OC(C1)C(C)(C2)C(C)(C)C(C2)1
InChI Key	ILUAVCBOWYHFAI-UHFFFAOYSA-N
Molecular Formula	C15H26O2
Exact Mass	238.193 g/mol

Data and Resources

BORNYL PENTANOATEHTML

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Related Molecule ⌄

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) pentanoate

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-JP006510
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) pentanoate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL2253147	chembl
1171684	surechembl
110801	pubchem
HMDB0038247	hmdb
The data in this table is sourced from UniChem at EBI.