Dataset

alpha-Methylstyrene; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU501001 contains the MS2 mass spectrum of alpha-Methylstyrene with the InChIkey XYLMUPLGERFSHI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
SMILES CC(=C)C1=CC=CC=C1
InChI Key XYLMUPLGERFSHI-UHFFFAOYSA-N
Molecular Formula C9H10
Exact Mass 118.078 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-AU501001
Version
Author
Maintainer
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MetadataPublished 2021-04-19
Related Molecule
  • prop-1-en-2-ylbenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:35060 chebi
    CHEMBL1344773 chembl
    2905282 surechembl
    6577 surechembl
    688558 surechembl
    7407 pubchem
    D46R9753IK fdasrs
    FADCUJ CCDC
    165633 brenda
    262803 brenda
    HMDB0059899 hmdb
    Molport-001-788-498 molport
    The data in this table is sourced from UniChem at EBI.