Dataset

Styrene; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU501104 contains the MS2 mass spectrum of Styrene with the InChIkey PPBRXRYQALVLMV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
SMILES C=CC1=CC=CC=C1
InChI Key PPBRXRYQALVLMV-UHFFFAOYSA-N
Molecular Formula C8H8
Exact Mass 104.063 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-AU501104
Version
Author
Maintainer
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MetadataPublished 2021-04-19
Related Molecule
  • styrene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27452 chebi
    SYN rcsb_pdb
    CHEMBL285235 chembl
    140 surechembl
    2176933 surechembl
    23087108 surechembl
    7501 pubchem
    44LJ2U959V fdasrs
    PD013855 probes_and_drugs
    ZZZTKA CCDC
    1987 brenda
    HMDB0034240 hmdb
    Molport-001-779-766 molport
    The data in this table is sourced from UniChem at EBI.