Dataset

ISOBUTYL DECANOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006216 contains the MS mass spectrum of ISOBUTYL DECANOATE with the InChIkey AXTPGRJJIGEOOY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
SMILES CCCCCCCCCC(=O)OCC(C)C
InChI Key AXTPGRJJIGEOOY-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-JP006216
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:47.099930
MetadataModified 2025-02-09T11:54:10.171843
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZYU8S7C4T7 FDA SRS
6202820 eMolecules
30673-38-2 ACToR
SCHEMBL333509 SureChEMBL
MTBLC87570 Metabolights
J147.579G Nikkaji
87570 ChEBI
ZINC000002522769 ZINC
DTXSID9067566 EPA CompTox Dashboard
CB4373380 ChemicalBook
HMDB0059865 Human Metabolome Database
121738 PubChem
The data in this table is sourced from UniChem at EBI.