Dataset

L-Norleucine, Nle, (2S)-2-aminohexanoic acid, alpha-Aminocaproic acid, (S)-(+)-2-Aminohexanoic acid, (S)-2-Aminocaproic acid, Norleucine, Glycoleucine, Caprine, L-2-Aminohexanoate

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT102830 contains the MS2 mass spectrum of L-Norleucine, Nle, (2S)-2-aminohexanoic acid, alpha-Aminocaproic acid, (S)-(+)-2-Aminohexanoic acid, (S)-2-Aminocaproic acid, Norleucine, Glycoleucine, Caprine, L-2-Aminohexanoate with the InChIkey LRQKBLKVPFOOQJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
SMILES CCCCC(C(=O)O)N
InChI Key LRQKBLKVPFOOQJ-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-PT102830
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:27:44.151403
MetadataModified 2025-02-09T19:06:53.270755
MetadataPublished 2008-07-25
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
36405 ChEBI
5C81BE5GKK FDA SRS
HMDB0251526 Human Metabolome Database
J1.268H Nikkaji
21248 Brenda
530031 eMolecules
SCHEMBL8392 SureChEMBL
20096826 NMRShiftDB
MCULE-4930484202 Mcule
21242 Brenda
124284 Brenda
DTXSID40861874 EPA CompTox Dashboard
CB1757105 ChemicalBook
9475 PubChem
517543 PubChem
14769353 PubChem: Thomson Pharma
PD040486 ProbesDrugs
124219 Brenda
616-06-8 ACToR
327-57-1 ACToR
The data in this table is sourced from UniChem at EBI.