Dataset

L-ORNITHINE; LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101001_FB57 contains the MS2 mass spectrum of L-ORNITHINE with the InChIkey AHLPHDHHMVZTML-BYPYZUCNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
SMILES NCCC[C@H](N)C(O)=O
InChI Key AHLPHDHHMVZTML-BYPYZUCNSA-N
Molecular Formula C5H12N2O2
Exact Mass 132.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101001_FB57
Version
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MetadataPublished 2021-12-14
Related Molecule
  • (2S)-2,5-diaminopentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MTBLC15729 Metabolights
    108680 Brenda
    576 Brenda
    98023 Brenda
    192 Brenda
    HMDB0000214 Human Metabolome Database
    93763 Brenda
    DTXSID00883219 EPA CompTox Dashboard
    ornithine DailyMed
    885 Brenda
    3657 Brenda
    SCHEMBL8579 SureChEMBL
    25104-12-5 ACToR
    410523-46-5 ACToR
    E524N2IXA3 FDA SRS
    60018697 NMRShiftDB
    15119954 PubChem: Thomson Pharma
    6262 PubChem
    PD010228 ProbesDrugs
    884260 eMolecules
    C00077 KEGG Ligand
    DB00129 DrugBank
    ORN PDBe
    CHEMBL446143 ChEMBL
    15729 ChEBI
    725 Guide to Pharmacology
    ORNITHINE, (L)-ISOMER rxnorm
    50487430 BindingDB
    OCR-002 clinicaltrials
    ORNITHINE OXOGLURATE clinicaltrials
    HY-B1352 MedChemExpress
    ORNITHINE clinicaltrials
    ORNITHINE PHENYLACETATE clinicaltrials
    CB3888326 ChemicalBook
    MCULE-3029872280 Mcule
    3401 DrugCentral
    ZINC000001532530 ZINC
    J9.177D Nikkaji
    88747248 PubChem
    229586 Brenda
    ORNITHINE DailyMed
    ORNITHINE rxnorm
    106425 Brenda
    CB2199856 ChemicalBook
    33186 Brenda
    PA164783814 PharmGKB
    106426 Brenda
    The data in this table is sourced from UniChem at EBI.