Dataset

(2-AMINOETHYL)PHOSPHONATE; LC-ESI-QTOF; MS2; CE: 10; [M+H]+

This MassBank record with Accession MSBNK-mFam-MC23_000441 contains the MS2 mass spectrum of (2-AMINOETHYL)PHOSPHONATE with the InChIkey QQVDJLLNRSOCEL-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
SMILES NCCP(O)(O)=O
InChI Key QQVDJLLNRSOCEL-UHFFFAOYSA-N
Molecular Formula C2H8NO3P
Exact Mass 125.024 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-mFam-MC23_000441
Version
Author
Maintainer
Language
MetadataPublished 2023-02-21
Related Molecule
  • 2-aminoethylphosphonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:15573 chebi
    CHEBI:57418 chebi
    P7I rcsb_pdb
    CHEMBL1321977 chembl
    80285 surechembl
    339 pubchem
    5245507 pubchem
    PD098925 probes_and_drugs
    AMEPAC CCDC
    12267 brenda
    15482 brenda
    222736 brenda
    232933 brenda
    43761 brenda
    62543 brenda
    7092 brenda
    76067 brenda
    P7I pdbe
    AH00YJQ334 fdasrs
    HMDB0011747 hmdb
    DTXSID10174362 comptox
    FDB028420 foodb
    The data in this table is sourced from UniChem at EBI.