Dataset

HEXYL ACETATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001528 contains the MS mass spectrum of HEXYL ACETATE with the InChIkey AOGQPLXWSUTHQB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
SMILES	CCCCCCOC(C)=O
InChI Key	AOGQPLXWSUTHQB-UHFFFAOYSA-N
Molecular Formula	C8H16O2
Exact Mass	144.115 g/mol

Data and Resources

HEXYL ACETATEHTML
Explore
- More information
- Go to resource

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-JP001528
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:47.591478
MetadataModified	2024-01-11T15:55:47.744406
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15219142	PubChem: Thomson Pharma
60019167	NMRShiftDB
7U7KU3MWT0	FDA SRS
478234	eMolecules
142-92-7	ACToR
88230-35-7	ACToR
CHEMBL2228454	ChEMBL
87510	ChEBI
MCULE-7353613022	Mcule
DTXSID6022006	EPA CompTox Dashboard
LMFA07010184	LipidMaps
ZINC000001683479	ZINC
HEXYL ACETATE	rxnorm
87510	Rhea
J2.028A	Nikkaji
MTBLC87510	Metabolights
HMDB0029980	Human Metabolome Database
101122	Brenda
CB0161882	ChemicalBook
CB3161883	ChemicalBook
8908	PubChem
SCHEMBL94650	SureChEMBL
The data in this table is sourced from UniChem at EBI.