Dataset

Leupeptin

This MassBank record with Accession MSBNK-RIKEN-PR100075 contains the MS2 mass spectrum of Leupeptin with the InChIkey GDBQQVLCIARPGH-IKGGRYGDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16+,17+/m1/s1
SMILES NC(=N)NCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O
InChI Key GDBQQVLCIARPGH-IKGGRYGDSA-N
Molecular Formula C20H38N6O4
Exact Mass 426.295 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-RIKEN-PR100075
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:03:55.885463
MetadataModified 2025-02-09T17:49:29.735799
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
13209093 PubChem
ZINC000013683122 ZINC
The data in this table is sourced from UniChem at EBI.