Dataset

Dyphylline; LC-ESI-Q; MS; POS; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA001656 contains the MS mass spectrum of Dyphylline with the InChIkey KSCFJBIXMNOVSH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
SMILES OCC(O)Cn(c2)c(C(=O)1)c(n2)N(C)C(=O)N(C)1
InChI Key KSCFJBIXMNOVSH-UHFFFAOYSA-N
Molecular Formula C10H14N4O4
Exact Mass 254.101 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-Waters-WA001656
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00651 drugbank
    CHEMBL1752 chembl
    8192 surechembl
    3182 pubchem
    263T0E9RR9 fdasrs
    7070 gtopdb
    PD002354 probes_and_drugs
    120935 brenda
    71919 brenda
    HMDB0014789 hmdb
    Molport-001-783-701 molport
    976 drugcentral
    82016 bindingdb
    The data in this table is sourced from UniChem at EBI.