Dataset

Edetic acid (EDTA); LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ500509 contains the MS2 mass spectrum of Edetic acid (EDTA) with the InChIkey KCXVZYZYPLLWCC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
SMILES C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI Key KCXVZYZYPLLWCC-UHFFFAOYSA-N
Molecular Formula C10H16N2O8
Exact Mass 292.091 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ500509
Version
Author
Maintainer
Language
MetadataPublished 2021-03-16
Related Molecule
  • 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00974 drugbank
    CHEBI:4735 chebi
    EDT rcsb_pdb
    CHEMBL858 chembl
    1373 surechembl
    5315227 surechembl
    173165358 pubchem
    5232305 pubchem
    6049 pubchem
    9G34HU7RV0 fdasrs
    PD002353 probes_and_drugs
    EDTAXX CCDC
    10903 brenda
    155929 brenda
    21 brenda
    2726 brenda
    32448 brenda
    47625 brenda
    47626 brenda
    50013 brenda
    HMDB0015109 hmdb
    Molport-001-788-408 molport
    987 drugcentral
    50330325 bindingdb
    The data in this table is sourced from UniChem at EBI.