Dataset

P-ALLYL ANISOLE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009171 contains the MS mass spectrum of P-ALLYL ANISOLE with the InChIkey ZFMSMUAANRJZFM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
SMILES C=CCc(c1)ccc(OC)c1
InChI Key ZFMSMUAANRJZFM-UHFFFAOYSA-N
Molecular Formula C10H12O
Exact Mass 148.089 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-JP009171
Version
Author
Maintainer
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MetadataPublished 2016-01-19
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    Data-Source Molecule ID Data-Source
    VUXJOO CCDC
    DTXSID0020575 EPA CompTox Dashboard
    HY-N5060 MedChemExpress
    4867 ChEBI
    ZINC000000967635 ZINC
    J5.794K Nikkaji
    8815 PubChem
    CHEMBL470671 ChEMBL
    C10452 KEGG Ligand
    PD000619 ProbesDrugs
    9NIW07V3ET FDA SRS
    50770-19-9 ACToR
    15146818 PubChem: Thomson Pharma
    SCHEMBL57204 SureChEMBL
    140-67-0 ACToR
    476230 eMolecules
    MTBLC4867 Metabolights
    CB8429687 ChemicalBook
    77010 Brenda
    32431 Brenda
    HMDB0034121 Human Metabolome Database
    10008909 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.