Dataset

ANETHOLE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009172 contains the MS mass spectrum of ANETHOLE with the InChIkey RUVINXPYWBROJD-ONEGZZNKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
SMILES CC=Cc(c1)ccc(OC)c1
InChI Key RUVINXPYWBROJD-ONEGZZNKSA-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-JP009172
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-methoxy-4-[(E)-prop-1-enyl]benzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C10428 KEGG Ligand
    35616 ChEBI
    CHEMBL452630 ChEMBL
    ANETHOLE rxnorm
    DB15916 DrugBank
    HY-B0900 MedChemExpress
    MCULE-2192618547 Mcule
    TUTZAM CCDC
    DTXSID9020087 EPA CompTox Dashboard
    ZINC000000967630 ZINC
    J61.645A Nikkaji
    J4.026F Nikkaji
    LSM-44647 LINCS
    30001040 NMRShiftDB
    154344 Brenda
    35616 Rhea
    CB3228733 ChemicalBook
    CB0228732 ChemicalBook
    MTBLC35616 Metabolights
    19099 Brenda
    14867360 PubChem: Thomson Pharma
    637563 PubChem
    PD000888 ProbesDrugs
    ANETHOLE clinicaltrials
    SCHEMBL48599 SureChEMBL
    109957-71-3 ACToR
    4180-23-8 ACToR
    104-46-1 ACToR
    Q3JEK5DO4K FDA SRS
    477836 eMolecules
    The data in this table is sourced from UniChem at EBI.