Dataset

ISOBUTYL PARA HYDROXY BENZOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000077 contains the MS mass spectrum of ISOBUTYL PARA HYDROXY BENZOATE with the InChIkey XPJVKCRENWUEJH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
SMILES CC(C)COC(=O)c(c1)ccc(O)c1
InChI Key XPJVKCRENWUEJH-UHFFFAOYSA-N
Molecular Formula C11H14O3
Exact Mass 194.094 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-JP000077
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-methylpropyl 4-hydroxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    891459 eMolecules
    0QQJ25X58G FDA SRS
    PD159031 ProbesDrugs
    178256 ChEBI
    14748582 PubChem: Thomson Pharma
    4247-02-3 ACToR
    CB2779511 ChemicalBook
    SCHEMBL34633 SureChEMBL
    20240 PubChem
    MCULE-4335589438 Mcule
    CHEMBL3182006 ChEMBL
    HMDB0253608 Human Metabolome Database
    UXEQIZ CCDC
    ISOBUTYLPARABEN rxnorm
    J909A Nikkaji
    ZINC000000225900 ZINC
    DTXSID4020749 EPA CompTox Dashboard
    HY-W015026 MedChemExpress
    The data in this table is sourced from UniChem at EBI.