Dataset

4-ISOPROPYLBENZALDEHYDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008712 contains the MS mass spectrum of 4-ISOPROPYLBENZALDEHYDE with the InChIkey WTWBUQJHJGUZCY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
SMILES O=Cc(c1)ccc(C(C)C)c1
InChI Key WTWBUQJHJGUZCY-UHFFFAOYSA-N
Molecular Formula C10H12O
Exact Mass 148.089 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-JP008712
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-propan-2-ylbenzaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    326 PubChem
    O0893NC35F FDA SRS
    PD088171 ProbesDrugs
    221679 Brenda
    122-03-2 ACToR
    15321589 PubChem: Thomson Pharma
    480952 eMolecules
    152312 Brenda
    CB9161294 ChemicalBook
    4404 Brenda
    HMDB0002214 Human Metabolome Database
    147174 Brenda
    20008 Brenda
    74490 Brenda
    49329 Brenda
    MTBLC28671 Metabolights
    SCHEMBL87226 SureChEMBL
    28671 ChEBI
    MCULE-4415970320 Mcule
    10024885 NMRShiftDB
    CHEMBL161577 ChEMBL
    C06577 KEGG Ligand
    CUMINALDEHYDE rxnorm
    HY-Y0790 MedChemExpress
    50139366 BindingDB
    DTXSID9021974 EPA CompTox Dashboard
    ZINC000000968248 ZINC
    J5.347C Nikkaji
    The data in this table is sourced from UniChem at EBI.