Dataset

Indole-3-acetyl-L-glutamic acid

This MassBank record with Accession MSBNK-RIKEN-PR304152 contains the MS2 mass spectrum of Indole-3-acetyl-L-glutamic acid with the InChIkey YRKLGWOHYXIKSF-LBPRGKRZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22)/t12-/m0/s1
SMILES OC(=O)CC[C@H](N=C(O)CC1=CNC2=CC=CC=C12)C(O)=O
InChI Key YRKLGWOHYXIKSF-LBPRGKRZSA-N
Molecular Formula C15H16N2O5
Exact Mass 304.302 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-PR304152
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:48.815798
MetadataModified 2024-01-11T20:40:48.970871
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J1.110.325A Nikkaji
HMDB0038665 Human Metabolome Database
ZINC000004090458 ZINC
DTXSID70205727 EPA CompTox Dashboard
SCHEMBL17848778 SureChEMBL
WG2R895X5T FDA SRS
190884 ChEBI
16266678 PubChem: Thomson Pharma
26433278 eMolecules
MCULE-2111357693 Mcule
7097227 PubChem
The data in this table is sourced from UniChem at EBI.