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-PS022807 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-PS022807
Version
Author
Maintainer
Language
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
    3305 PubChem
    PD009821 ProbesDrugs
    911 PDBe
    M2F465ROXU FDA SRS
    LSM-5508 LINCS
    14797598 PubChem: Thomson Pharma
    100511-44-2 ACToR
    PA449548 PharmGKB
    etidronate-didronel Selleck
    2809-21-4 ACToR
    519300 eMolecules
    ZINC000003830813 ZINC
    CB4719658 ChemicalBook
    HMDB0015210 Human Metabolome Database
    5338 Brenda
    MCULE-3037955142 Mcule
    SCHEMBL18607 SureChEMBL
    CHEMBL871 ChEMBL
    C07736 KEGG Ligand
    DB01077 DrugBank
    4907 ChEBI
    50115102 BindingDB
    ETIDRONATE rxnorm
    ETIDRONIC ACID rxnorm
    ETIDRONATE DISODIUM rxnorm
    ETIDRONATE DISODIUM clinicaltrials
    ETHDPH CCDC
    DIDRONEL clinicaltrials
    HY-B0302 MedChemExpress
    DTXSID6023028 EPA CompTox Dashboard
    1098 DrugCentral
    7184 Guide to Pharmacology
    J7.915D Nikkaji
    ETIDRONIC ACID clinicaltrials
    The data in this table is sourced from UniChem at EBI.