Dataset

Indole-3-acetyl-L-valine

This MassBank record with Accession MSBNK-RIKEN-PR308120 contains the MS2 mass spectrum of Indole-3-acetyl-L-valine with the InChIkey AZEGJHGXTSUPPG-AWEZNQCLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1
SMILES CC(C)[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
InChI Key AZEGJHGXTSUPPG-AWEZNQCLSA-N
Molecular Formula C15H18N2O3
Exact Mass 274.320 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-PR308120
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:02.658906
MetadataModified 2024-01-11T20:43:02.803954
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
IAV PDBe
DB07953 DrugBank
500228 eMolecules
57105-42-7 ACToR
446641 PubChem
PD004858 ProbesDrugs
16437800 PubChem: Thomson Pharma
MCULE-3007021982 Mcule
J1.110.328F Nikkaji
LACCAT CCDC
SCHEMBL1285955 SureChEMBL
CB9351688 ChemicalBook
ZINC000000056772 ZINC
DTXSID70332229 EPA CompTox Dashboard
177043 ChEBI
The data in this table is sourced from UniChem at EBI.