Dataset

Threonylleucine (isomer of 809, 925)

This MassBank record with Accession MSBNK-RIKEN-PR311039 contains the MS2 mass spectrum of Threonylleucine (isomer of 809, 925) with the InChIkey BQBCIBCLXBKYHW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)
SMILES O=C(O)C(NC(=O)C(N)C(O)C)CC(C)C
InChI Key BQBCIBCLXBKYHW-UHFFFAOYSA-N
Molecular Formula C10H20N2O4
Exact Mass 232.280 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-PR311039
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:30:39.228672
MetadataModified 2025-02-09T18:31:03.732511
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID70403105 EPA CompTox Dashboard
HMDB0259044 Human Metabolome Database
SCHEMBL14842719 SureChEMBL
4420322 PubChem
The data in this table is sourced from UniChem at EBI.