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
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Maintainer
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MetadataPublished 2021-04-19
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    10009333 NMRShiftDB
    SCHEMBL6577 SureChEMBL
    D46R9753IK FDA SRS
    165633 Brenda
    HMDB0059899 Human Metabolome Database
    CB5302758 ChemicalBook
    CHEMBL1344773 ChEMBL
    C14395 KEGG Ligand
    FADCUJ CCDC
    J3.582C Nikkaji
    ZINC000001699968 ZINC
    DTXSID9025661 EPA CompTox Dashboard
    MCULE-3507413504 Mcule
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    The data in this table is sourced from UniChem at EBI.