Dataset

Indole-3-acetyl-L-phenylalanine

This MassBank record with Accession MSBNK-RIKEN-PR308212 contains the MS2 mass spectrum of Indole-3-acetyl-L-phenylalanine with the InChIkey BUGQHORRADGONS-UHFFFAOYSA-N.

Chemical Info

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-PR308212
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:50:38.510768
MetadataModified 2025-02-09T18:27:14.046059
MetadataPublished 2019-03-28
Related Molecule
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.