Dataset

1-ETHYLPENTYL ACETATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008556 contains the MS mass spectrum of 1-ETHYLPENTYL ACETATE with the InChIkey QICIMADZMWGDTQ-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3
SMILES	CCCCC(CC)OC(C)=O
InChI Key	QICIMADZMWGDTQ-UHFFFAOYSA-N
Molecular Formula	C9H18O2
Exact Mass	158.131 g/mol

Data and Resources

1-ETHYLPENTYL ACETATEHTML

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Related Molecule ⌄

heptan-3-yl acetate

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-JP008556
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	heptan-3-yl acetate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0032309	Human Metabolome Database
79AS95G5J0	FDA SRS
J261.061B	Nikkaji
537615	PubChem
179878	ChEBI
59651-63-7	ACToR
SCHEMBL125718	SureChEMBL
The data in this table is sourced from UniChem at EBI.