Dataset

(S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS005203 contains the MS2 mass spectrum of (S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid with the InChIkey ROHFNLRQFUQHCH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
SMILES CC(C)CC(C(=O)O)N
InChI Key ROHFNLRQFUQHCH-UHFFFAOYSA-N
Molecular Formula C6H13NO2
Exact Mass 131.175 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-PS005203
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:12:13.991234
MetadataModified 2025-02-09T19:06:32.681167
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HY-B1674 MedChemExpress
1QSS9D5DR6 FDA SRS
DLLEUC CCDC
LMFA01100048 LipidMaps
J1.285H Nikkaji
240752 Brenda
15297248 PubChem: Thomson Pharma
25017 ChEBI
CHEMBL46575 ChEMBL
C16439 KEGG Ligand
PA450197 PharmGKB
126785 Brenda
CB4365169 ChemicalBook
MTBLC25017 Metabolights
20253 Brenda
45498 Brenda
90931 Brenda
43092 Brenda
10016957 NMRShiftDB
SCHEMBL3888 SureChEMBL
MCULE-7657212416 Mcule
25322-63-8 ACToR
328-39-2 ACToR
328-38-1 ACToR
61-90-5 ACToR
857 PubChem
5255803 PubChem
PD098604 ProbesDrugs
499483 eMolecules
The data in this table is sourced from UniChem at EBI.