Dataset

1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS022802 contains the MS2 mass spectrum of 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate with the InChIkey DBVJJBKOTRCVKF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
SMILES CC(O)(P(=O)(O)O)P(=O)(O)O
InChI Key DBVJJBKOTRCVKF-UHFFFAOYSA-N
Molecular Formula C2H8O7P2
Exact Mass 206.031 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-RIKEN_ReSpect-PS022802
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Author
Maintainer
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MetadataPublished 2009-02-09
Related Molecule
  • (1-hydroxy-1-phosphonoethyl)phosphonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01077 drugbank
    CHEBI:4907 chebi
    911 rcsb_pdb
    CHEMBL871 chembl
    18607 surechembl
    3305 pubchem
    M2F465ROXU fdasrs
    911 - Ideal conformer pdbe
    7184 gtopdb
    PD009821 probes_and_drugs
    ETHDPH CCDC
    5338 brenda
    HMDB0015210 hmdb
    1098 drugcentral
    50115102 bindingdb
    The data in this table is sourced from UniChem at EBI.