Dataset

Indole-3-acetyl-L-tryptophan

This MassBank record with Accession MSBNK-RIKEN-PR304219 contains the MS2 mass spectrum of Indole-3-acetyl-L-tryptophan with the InChIkey FOSPCYZZRVNHJS-UHFFFAOYSA-N.

Chemical Info

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-PR304219
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:36:37.789100
MetadataModified 2025-02-09T18:28:58.200694
MetadataPublished 2019-03-28
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.