Dataset

Phosphinothricin; LC-ESI-Q; MS; POS; 60 V, 75 V

This MassBank record with Accession MSBNK-Waters-WA002709 contains the MS mass spectrum of Phosphinothricin with the InChIkey IAJOBQBIJHVGMQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
SMILES NC(CCP(C)(O)=O)C(O)=O
InChI Key IAJOBQBIJHVGMQ-UHFFFAOYSA-N
Molecular Formula C5H12NO4P
Exact Mass 181.050 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-Waters-WA002709
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5257279 PubChem
    15265602 PubChem: Thomson Pharma
    5257280 PubChem
    4794 PubChem
    51276-47-2 ACToR
    PD093524 ProbesDrugs
    126633-48-5 ACToR
    53369-07-6 ACToR
    70115466 NMRShiftDB
    36554096 eMolecules
    71999 Brenda
    SCHEMBL17697 SureChEMBL
    CHEMBL450298 ChEMBL
    C05042 KEGG Ligand
    DTXSID0043973 EPA CompTox Dashboard
    HY-W019870A MedChemExpress
    HMDB0252799 Human Metabolome Database
    J8.581B Nikkaji
    C8W4FP6BTY FDA SRS
    CB8918965 ChemicalBook
    142851 ChEBI
    The data in this table is sourced from UniChem at EBI.