Dataset

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

This MassBank record with Accession MSBNK-RIKEN-PR304227 contains the MS2 mass spectrum of Indole-3-acetyl-L-tryptophan with the InChIkey FOSPCYZZRVNHJS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H19N3O3/c25-20(10-14-12-23-18-8-4-2-6-16(14)18)24-19(21(26)27)9-13-11-22-17-7-3-1-5-15(13)17/h1-8,11-12,19,22-23H,9-10H2,(H,24,25)(H,26,27)
SMILES OC(CC1=CNC2=CC=CC=C12)=NC(CC1=CNC2=CC=CC=C12)C(O)=O
InChI Key FOSPCYZZRVNHJS-UHFFFAOYSA-N
Molecular Formula C21H19N3O3
Exact Mass 361.401 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-PR304227
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MetadataPublished 2019-03-28
Related Molecule
  • 3-(1H-indol-3-yl)-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
    4604444 PubChem
    PD158729 ProbesDrugs
    SCHEMBL13278205 SureChEMBL
    1937683 eMolecules
    MCULE-8497015238 Mcule
    The data in this table is sourced from UniChem at EBI.