Dataset

HEXADECANOIC ACID HEXYL ESTER

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001781 contains the MS mass spectrum of HEXADECANOIC ACID HEXYL ESTER with the InChIkey IOVYZELOJXWQKD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h3-21H2,1-2H3
SMILES CCCCCCCCCCCCCCCC(=O)OCCCCCC
InChI Key IOVYZELOJXWQKD-UHFFFAOYSA-N
Molecular Formula C22H44O2
Exact Mass 340.334 g/mol

Data and Resources

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-JP001781
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:25:49.994228
MetadataModified 2025-02-09T11:30:16.197165
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
162505 PubChem
LMFA07010472 LipidMaps
DTXSID4068373 EPA CompTox Dashboard
J45.557A Nikkaji
84982 Brenda
SCHEMBL81331 SureChEMBL
42232-25-7 ACToR
CB8880734 ChemicalBook
196300 ChEBI
163536384 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.