Dataset

Didanosine; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ313501 contains the MS2 mass spectrum of Didanosine with the InChIkey BXZVVICBKDXVGW-NKWVEPMBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
SMILES O=C3/N=C\Nc1c3ncn1[C@@H]2O[C@@H](CC2)CO
InChI Key BXZVVICBKDXVGW-NKWVEPMBSA-N
Molecular Formula C10H12N4O3
Exact Mass 236.091 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-Eawag-EQ313501
Version
Author
Maintainer
Language
MetadataPublished 2015-08-25
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    Measurement Technique liquid chromatography-mass spectrometry
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    2DI rcsb_pdb
    CHEMBL1460 chembl
    29387997 surechembl
    3363 surechembl
    3364 surechembl
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    135398739 pubchem
    K3GDH6OH08 fdasrs
    2DI pdbe
    PD003179 probes_and_drugs
    CUYDOQ CCDC
    124179 brenda
    14441 brenda
    148764 brenda
    1813 brenda
    186532 brenda
    51621 brenda
    HMDB0015037 hmdb
    DTXSID6022927 comptox
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    Molport-002-507-371 molport
    Molport-003-846-628 molport
    Molport-006-167-656 molport
    869 drugcentral
    50404252 bindingdb
    The data in this table is sourced from UniChem at EBI.