Dataset

Indole-3-acetyl-L-isoleucine

This MassBank record with Accession MSBNK-RIKEN-PR308161 contains the MS2 mass spectrum of Indole-3-acetyl-L-isoleucine with the InChIkey WPTUQMUCTTVOFW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H20N2O3/c1-3-10(2)15(16(20)21)18-14(19)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,15,17H,3,8H2,1-2H3,(H,18,19)(H,20,21)
SMILES CCC(C)C(N=C(O)CC1=CNC2=CC=CC=C12)C(O)=O
InChI Key WPTUQMUCTTVOFW-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-PR308161
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:45.743508
MetadataModified 2024-01-11T20:39:45.928316
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL8064089 SureChEMBL
MCULE-1872789823 Mcule
1971797 eMolecules
181654 ChEBI
3321899 PubChem
The data in this table is sourced from UniChem at EBI.