Dataset

Dehydrohistidyl-tryptophanyl-diketopiperazine

This MassBank record with Accession MSBNK-AAFC-AC000773 contains the MS2 mass spectrum of Dehydrohistidyl-tryptophanyl-diketopiperazine with the InChIkey ITXQTTPWGBFRNK-GIDUJCDVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H15N5O2/c23-16-14(5-10-7-19-13-4-2-1-3-12(10)13)21-17(24)15(22-16)6-11-8-18-9-20-11/h1-4,6-9,14,19H,5H2,(H,18,20)(H,21,24)(H,22,23)/b15-6+
SMILES C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3
InChI Key ITXQTTPWGBFRNK-GIDUJCDVSA-N
Molecular Formula C17H15N5O2
Exact Mass 321.123 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000773
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:43.070587
MetadataModified 2024-01-11T09:22:43.232909
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
51136281 PubChem
DTXSID00894047 EPA CompTox Dashboard
MCULE-1425490506 Mcule
182170 ChEBI
80012060 NMRShiftDB
The data in this table is sourced from UniChem at EBI.