Dataset

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

This MassBank record with Accession MSBNK-RIKEN-PR310542 contains the MS2 mass spectrum of Indole-3-acetyl-L-phenylalanine with the InChIkey BUGQHORRADGONS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H18N2O3/c22-18(11-14-12-20-16-9-5-4-8-15(14)16)21-17(19(23)24)10-13-6-2-1-3-7-13/h1-9,12,17,20H,10-11H2,(H,21,22)(H,23,24)
SMILES OC(CC1=CNC2=CC=CC=C12)=NC(CC1=CC=CC=C1)C(O)=O
InChI Key BUGQHORRADGONS-UHFFFAOYSA-N
Molecular Formula C19H18N2O3
Exact Mass 322.364 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-PR310542
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4255608 PubChem
    MCULE-1475018144 Mcule
    16230162 PubChem: Thomson Pharma
    1971801 eMolecules
    SCHEMBL1574598 SureChEMBL
    MTBLC133527 Metabolights
    133527 ChEBI
    The data in this table is sourced from UniChem at EBI.