Dataset

Indole-3-acetyl-L-alanine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR304204 contains the MS2 mass spectrum of Indole-3-acetyl-L-alanine with the InChIkey FBDCJLXTUCMFLF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18)
SMILES CC(N=C(O)CC1=CNC2=CC=CC=C12)C(O)=O
InChI Key FBDCJLXTUCMFLF-UHFFFAOYSA-N
Molecular Formula C13H14N2O3
Exact Mass 246.266 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-RIKEN-PR304204
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1971795 eMolecules
    SCHEMBL6081797 SureChEMBL
    3398622 PubChem
    182337 ChEBI
    MCULE-9850475818 Mcule
    The data in this table is sourced from UniChem at EBI.