Dataset

Indole-3-acetyl-L-phenylalanine

This MassBank record with Accession MSBNK-RIKEN-PR304167 contains the MS2 mass spectrum of Indole-3-acetyl-L-phenylalanine with the InChIkey BUGQHORRADGONS-KRWDZBQOSA-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)/t17-/m0/s1
SMILES OC(CC1=CNC2=CC=CC=C12)=N[C@@H](CC1=CC=CC=C1)C(O)=O
InChI Key BUGQHORRADGONS-KRWDZBQOSA-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-PR304167
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:11:34.612327
MetadataModified 2025-02-09T18:23:38.212853
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
644227 PubChem
CHEMBL4788202 ChEMBL
DTXSID30205728 EPA CompTox Dashboard
ZINC000000389660 ZINC
177048 ChEBI
J741.901E Nikkaji
CB0708933 ChemicalBook
1937681 eMolecules
16426921 PubChem: Thomson Pharma
57105-50-7 ACToR
7DQ9F5L55Y FDA SRS
SCHEMBL503091 SureChEMBL
The data in this table is sourced from UniChem at EBI.