Dataset

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

This MassBank record with Accession MSBNK-RIKEN-PR308175 contains the MS2 mass spectrum of Indole-3-acetyl-L-leucine with the InChIkey HCZNPUHZYPPINM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H20N2O3/c1-10(2)7-14(16(20)21)18-15(19)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21)
SMILES CC(C)CC(N=C(O)CC1=CNC2=CC=CC=C12)C(O)=O
InChI Key HCZNPUHZYPPINM-UHFFFAOYSA-N
Molecular Formula C16H20N2O3
Exact Mass 288.347 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-PR308175
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylpentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133521 ChEBI
    MTBLC133521 Metabolights
    1971799 eMolecules
    SCHEMBL4859015 SureChEMBL
    MCULE-3684939158 Mcule
    3945661 PubChem
    The data in this table is sourced from UniChem at EBI.