Dataset

BENZYL ISOVALERATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007077 contains the MS mass spectrum of BENZYL ISOVALERATE with the InChIkey HVJKZICIMIWFCP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
SMILES CC(C)CC(=O)OCc(c1)cccc1
InChI Key HVJKZICIMIWFCP-UHFFFAOYSA-N
Molecular Formula C12H16O2
Exact Mass 192.115 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-JP007077
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:54:59.424882
MetadataModified 2024-01-11T15:54:59.670768
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-6991735755 Mcule
7651 PubChem
CHEMBL3184059 ChEMBL
HMDB0032043 Human Metabolome Database
103-38-8 ACToR
595563 eMolecules
SCHEMBL111390 SureChEMBL
60023051 NMRShiftDB
179904 ChEBI
87UKH01DMA FDA SRS
DTXSID1047603 EPA CompTox Dashboard
CB7365094 ChemicalBook
J36.795H Nikkaji
ZINC000001677791 ZINC
The data in this table is sourced from UniChem at EBI.