Dataset

Etidronic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO000710 contains the MS2 mass spectrum of Etidronic acid 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 205.975 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-KO000710
Version
Author
Maintainer
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MetadataPublished 2016-01-19
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 pdbe
    7184 gtopdb
    PD009821 probes_and_drugs
    ETHDPH CCDC
    5338 brenda
    HMDB0015210 hmdb
    DTXSID6023028 comptox
    NCT00376662 clinicaltrials
    NCT01585402 clinicaltrials
    NCT05662111 clinicaltrials
    NCT05832580 clinicaltrials
    1098 drugcentral
    50115102 bindingdb
    The data in this table is sourced from UniChem at EBI.