Dataset

GERANYL ISOBUTYRATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006981 contains the MS mass spectrum of GERANYL ISOBUTYRATE with the InChIkey OGJYXQFXLSCKTP-UKTHLTGXSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
SMILES	CC(C)=CCCC(C)=CCOC(=O)C(C)C
InChI Key	OGJYXQFXLSCKTP-UKTHLTGXSA-N
Molecular Formula	C14H24O2
Exact Mass	224.178 g/mol

Data and Resources

GERANYL ISOBUTYRATEHTML

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Related Molecule ⌄

[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate

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-JP006981
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB2380782	ChemicalBook
17495761	PubChem: Thomson Pharma
DTXSID8051889	EPA CompTox Dashboard
J183.047C	Nikkaji
145741	ChEBI
SCHEMBL397326	SureChEMBL
J35.370A	Nikkaji
ZINC000001850861	ZINC
6086514	PubChem
2345-24-6	ACToR
P6D2F72907	FDA SRS
60029908	NMRShiftDB
2345-26-8	ACToR
The data in this table is sourced from UniChem at EBI.