Dataset

N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO002090 contains the MS2 mass spectrum of N-alpha-Acetyl-L-ornithine with the InChIkey JRLGPAXAGHMNOL-LURJTMIESA-N.

Chemical Information

molecular Image
Synonyms
N2-Acetyl-L-ornithine
N-alpha-Acetyl-L-ornithine
N-Acetylornithine
InChI InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
SMILES NCCCC(NC(C)=O)C(O)=O
InChI Key JRLGPAXAGHMNOL-LURJTMIESA-N
Molecular Formula C7H14N2O3
Exact Mass 174.100 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-Keio_Univ-KO002090
Version
Author
Maintainer
Language english
MetadataPublished 2016-01-19
Related Molecule
  • (2S)-2-acetamido-5-aminopentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6992102 PubChem
    SCHEMBL159460 SureChEMBL
    4293 Brenda
    173850 Brenda
    12626 Brenda
    113986 Brenda
    13368 Brenda
    51817 Brenda
    MTBLC57805 Metabolights
    164153 Brenda
    20100 Brenda
    HMDB0003357 Human Metabolome Database
    57805 Rhea
    CB6699031 ChemicalBook
    MTBLC16543 Metabolights
    11066 Brenda
    30069639 eMolecules
    16947200 PubChem: Thomson Pharma
    439232 PubChem
    60018781 NMRShiftDB
    2185-16-2 ACToR
    acorn Recon
    6205-08-9 ACToR
    PD102023 ProbesDrugs
    2570 Brenda
    J37.495D Nikkaji
    ZINC000001532657 ZINC
    HY-113080 MedChemExpress
    DTXSID80331400 EPA CompTox Dashboard
    57805 ChEBI
    16543 ChEBI
    C00437 KEGG Ligand
    AOR PDBe
    The data in this table is sourced from UniChem at EBI.