Dataset

CIS-3-HEXENYL ACETATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006809 contains the MS mass spectrum of CIS-3-HEXENYL ACETATE with the InChIkey NPFVOOAXDOBMCE-PLNGDYQASA-N.

Chemical Info

InChI	InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
SMILES	CCC=CCCOC(C)=O
InChI Key	NPFVOOAXDOBMCE-PLNGDYQASA-N
Molecular Formula	C8H14O2
Exact Mass	142.099 g/mol

Data and Resources

CIS-3-HEXENYL ACETATEHTML
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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-JP006809
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:25:52.302832
MetadataModified	2025-02-09T12:00:45.212485
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J118.141F	Nikkaji
LMFA07010181	LipidMaps
DTXSID0041484	EPA CompTox Dashboard
3-HEXENYL ACETATE, (3Z)-	rxnorm
CHEMBL2251454	ChEMBL
61316	ChEBI
5363388	PubChem
60023111	NMRShiftDB
6INA6GC5I6	FDA SRS
25152-87-8	ACToR
14940600	PubChem: Thomson Pharma
595741	eMolecules
SCHEMBL113309	SureChEMBL
61316	Rhea
HMDB0040215	Human Metabolome Database
41651	Brenda
40699	Brenda
10123	Brenda
211364	Brenda
CB8727291	ChemicalBook
160521	Brenda
MTBLC61316	Metabolights
ZINC000005225119	ZINC
The data in this table is sourced from UniChem at EBI.