Dataset

Isoleucylleucine

This MassBank record with Accession MSBNK-RIKEN-PR311051 contains the MS2 mass spectrum of Isoleucylleucine with the InChIkey BCVIOZZGJNOEQS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H24N2O3/c1-5-7(3)9(13)11(15)14-10(12(16)17)8(4)6-2/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)
SMILES O=C(O)C(NC(=O)C(N)C(C)CC)C(C)CC
InChI Key BCVIOZZGJNOEQS-UHFFFAOYSA-N
Molecular Formula C12H24N2O3
Exact Mass 244.335 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-PR311051
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:38.738257
MetadataModified 2024-01-11T20:39:38.892365
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
46523529 PubChem: Thomson Pharma
184772 ChEBI
SCHEMBL2933766 SureChEMBL
DTXSID60874380 EPA CompTox Dashboard
HMDB0028910 Human Metabolome Database
13879965 PubChem
23274590 PubChem
The data in this table is sourced from UniChem at EBI.