Dataset

3-INDOLEBUTYRIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002653 contains the MS mass spectrum of 3-INDOLEBUTYRIC ACID METHYL ESTER with the InChIkey ZEJUFCOACOWDPP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H15NO2/c1-16-13(15)8-4-5-10-9-14-12-7-3-2-6-11(10)12/h2-3,6-7,9,14H,4-5,8H2,1H3
SMILES COC(=O)CCCC1=CNC2=CC=CC=C21
InChI Key ZEJUFCOACOWDPP-UHFFFAOYSA-N
Molecular Formula C13H15NO2
Exact Mass 217.110 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-JP002653
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-(1H-indol-3-yl)butanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1358575 surechembl
    85010 pubchem
    768B8C88XT fdasrs
    173729 brenda
    DTXSID90165990 comptox
    Molport-000-927-948 molport
    The data in this table is sourced from UniChem at EBI.