Dataset

Dyphylline; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001659 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-WA001659
Version
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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
    HMDB0014789 Human Metabolome Database
    CB7177891 ChemicalBook
    71919 Brenda
    SCHEMBL8192 SureChEMBL
    4728 ChEBI
    MCULE-5509227834 Mcule
    3182 PubChem
    20209339 NMRShiftDB
    502884 eMolecules
    PD002354 ProbesDrugs
    NEOTHYLLINE clinicaltrials
    LUFYLLIN clinicaltrials
    DIPROPHYLLINE clinicaltrials
    15020457 PubChem: Thomson Pharma
    LSM-4299 LINCS
    479-18-5 ACToR
    Dyphylline(Dilor) Selleck
    DYPHYLLINE clinicaltrials
    CHEMBL1752 ChEMBL
    C07819 KEGG Ligand
    DB00651 DrugBank
    PA164748027 PharmGKB
    7070 Guide to Pharmacology
    976 DrugCentral
    DTXSID6022975 EPA CompTox Dashboard
    263T0E9RR9 FDA SRS
    HY-B0128 MedChemExpress
    DYPHYLLINE rxnorm
    82016 BindingDB
    J2.054K Nikkaji
    The data in this table is sourced from UniChem at EBI.