Dataset

BUTYL ACRYLATE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005187 contains the MS mass spectrum of BUTYL ACRYLATE with the InChIkey CQEYYJKEWSMYFG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
SMILES CCCCOC(=O)C=C
InChI Key CQEYYJKEWSMYFG-UHFFFAOYSA-N
Molecular Formula C7H12O2
Exact Mass 128.084 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-JP005187
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • butyl prop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3245 ChEBI
    CHEMBL1546388 ChEMBL
    C10921 KEGG Ligand
    DTXSID6024676 EPA CompTox Dashboard
    N-BUTYL ACRYLATE rxnorm
    J2.535F Nikkaji
    QAZYEV CCDC
    HMDB0249474 Human Metabolome Database
    ZINC000001532055 ZINC
    CB4328249 ChemicalBook
    8846 PubChem
    60004995 NMRShiftDB
    474904 eMolecules
    705NM8U35V FDA SRS
    110866-53-0 ACToR
    15066175 PubChem: Thomson Pharma
    141-32-2 ACToR
    126492-54-4 ACToR
    CB6100980 ChemicalBook
    MCULE-6944090543 Mcule
    SCHEMBL15037 SureChEMBL
    The data in this table is sourced from UniChem at EBI.