Dataset

Methylparaben; LC-ESI-QTOF; MS2; CE: Ramp 16.3-24.5 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU237106 contains the MS2 mass spectrum of Methylparaben with the InChIkey LXCFILQKKLGQFO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
SMILES COC(=O)C1=CC=C(O)C=C1
InChI Key LXCFILQKKLGQFO-UHFFFAOYSA-N
Molecular Formula C8H8O3
Exact Mass 152.047 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU237106
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MetadataPublished 2019-05-30
Related Molecule
  • methyl 4-hydroxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB14212 drugbank
    CHEBI:31835 chebi
    MPB rcsb_pdb
    CHEMBL325372 chembl
    4440 surechembl
    7456 pubchem
    A2I8C7HI9T fdasrs
    6273 gtopdb
    PD001581 probes_and_drugs
    CEBGOF CCDC
    116322 brenda
    131007 brenda
    167107 brenda
    186418 brenda
    25453 brenda
    54718 brenda
    62700 brenda
    91708 brenda
    HMDB0032572 hmdb
    Molport-000-872-072 molport
    1766 drugcentral
    50209100 bindingdb
    The data in this table is sourced from UniChem at EBI.