Dataset

OCTYL HEXANOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006994 contains the MS mass spectrum of OCTYL HEXANOATE with the InChIkey CMNMHJVRZHGAAK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H28O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h3-13H2,1-2H3
SMILES CCCCCCCCOC(=O)CCCCC
InChI Key CMNMHJVRZHGAAK-UHFFFAOYSA-N
Molecular Formula C14H28O2
Exact Mass 228.209 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-JP006994
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:02.142696
MetadataModified 2024-01-11T15:55:02.310343
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL333399 SureChEMBL
J115.076F Nikkaji
LMFA07010439 LipidMaps
DTXSID40197620 EPA CompTox Dashboard
ZINC000001684760 ZINC
179787 ChEBI
19B54293W4 FDA SRS
123072016 PubChem: Thomson Pharma
4887-30-3 ACToR
60019464 NMRShiftDB
21006 PubChem
6208290 eMolecules
The data in this table is sourced from UniChem at EBI.