Dataset

Malonyltryptophan

This MassBank record with Accession MSBNK-RIKEN-PR311144 contains the MS2 mass spectrum of Malonyltryptophan with the InChIkey OVEAWSPZRGBTSS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)
SMILES O=C(O)CC(=O)NC(C(=O)O)CC2=CNC=1C=CC=CC=12
InChI Key OVEAWSPZRGBTSS-UHFFFAOYSA-N
Molecular Formula C14H14N2O5
Exact Mass 290.275 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-PR311144
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:09.284724
MetadataModified 2024-01-11T20:44:09.427355
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
142268 ChEBI
HMDB0039500 Human Metabolome Database
5199636 PubChem
The data in this table is sourced from UniChem at EBI.