Dataset

HEXYL BENZOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005965 contains the MS mass spectrum of HEXYL BENZOATE with the InChIkey UUGLJVMIFJNVFH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
SMILES CCCCCCOC(=O)c(c1)cccc1
InChI Key UUGLJVMIFJNVFH-UHFFFAOYSA-N
Molecular Formula C13H18O2
Exact Mass 206.131 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-JP005965
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:07.373039
MetadataModified 2024-01-11T15:55:07.547484
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0040431 Human Metabolome Database
CB8754305 ChemicalBook
165206 ChEBI
DTXSID9025403 EPA CompTox Dashboard
CHEMBL2260717 ChEMBL
J36.024D Nikkaji
ZINC000002029851 ZINC
MCULE-7298810356 Mcule
23235 PubChem
596077 eMolecules
60019586 NMRShiftDB
6789-88-4 ACToR
15121091 PubChem: Thomson Pharma
SCHEMBL112029 SureChEMBL
VR3C36EKJR FDA SRS
The data in this table is sourced from UniChem at EBI.