Dataset

N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO002088 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-KO002088
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
    CHEBI:16543 chebi
    CHEBI:57805 chebi
    AOR rcsb_pdb
    159460 surechembl
    439232 pubchem
    6992102 pubchem
    PD102023 probes_and_drugs
    11066 brenda
    113986 brenda
    12626 brenda
    13368 brenda
    164153 brenda
    173850 brenda
    179439 brenda
    183761 brenda
    184364 brenda
    185709 brenda
    20100 brenda
    2570 brenda
    4293 brenda
    51817 brenda
    HMDB0003357 hmdb
    Molport-020-004-708 molport
    The data in this table is sourced from UniChem at EBI.