Dataset

BUTYL ISOBUTYRATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006968 contains the MS mass spectrum of BUTYL ISOBUTYRATE with the InChIkey JSLCOZYBKYHZNL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
SMILES CCCCOC(=O)C(C)C
InChI Key JSLCOZYBKYHZNL-UHFFFAOYSA-N
Molecular Formula C8H16O2
Exact Mass 144.115 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-JP006968
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:41.061702
MetadataModified 2024-01-11T15:55:41.220668
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
595579 eMolecules
DTXSID9073888 EPA CompTox Dashboard
ZINC000002041165 ZINC
HMDB0040251 Human Metabolome Database
CB1174227 ChemicalBook
60019326 NMRShiftDB
179935 ChEBI
PW9UJ5C0F3 FDA SRS
97-87-0 ACToR
15219143 PubChem: Thomson Pharma
7353 PubChem
SCHEMBL407053 SureChEMBL
MCULE-8044191721 Mcule
J361A Nikkaji
The data in this table is sourced from UniChem at EBI.