Dataset

4-Methyl-2-oxopentanoic acid, 2-Oxoisocaproic acid, Ketoleucine, 4-Methyl-2-oxovaleric acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS006203 contains the MS2 mass spectrum of 4-Methyl-2-oxopentanoic acid, 2-Oxoisocaproic acid, Ketoleucine, 4-Methyl-2-oxovaleric acid with the InChIkey BKAJNAXTPSGJCU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
SMILES CC(C)CC(=O)C(=O)O
InChI Key BKAJNAXTPSGJCU-UHFFFAOYSA-N
Molecular Formula C6H10O3
Exact Mass 130.143 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS006203
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:37.946962
MetadataModified 2024-01-11T21:06:38.116919
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91727 Brenda
112656 Brenda
126330 Brenda
1174 Brenda
96122 Brenda
19739 Brenda
57381 Brenda
2785 Brenda
27233 Brenda
21234 Brenda
13251 Brenda
4334 Brenda
HMDB0000695 Human Metabolome Database
114852 Brenda
136121 Brenda
MTBLC48430 Metabolights
19410 Brenda
3372 Brenda
48430 ChEBI
SCHEMBL43491 SureChEMBL
70 PubChem
60019644 NMRShiftDB
PD007318 ProbesDrugs
1039 Brenda
15218977 PubChem: Thomson Pharma
253495 Brenda
4GUJ8AH400 FDA SRS
816-66-0 ACToR
188907 Brenda
529078 eMolecules
50390988 BindingDB
HY-W012722 MedChemExpress
MCULE-4155006996 Mcule
DTXSID6061157 EPA CompTox Dashboard
ZINC000001532578 ZINC
4656 Guide to Pharmacology
J39.557I Nikkaji
CB5157543 ChemicalBook
CHEMBL445647 ChEMBL
DB03229 DrugBank
COI PDBe
C00233 KEGG Ligand
The data in this table is sourced from UniChem at EBI.