Dataset

Dyphylline

This MassBank record with Accession MSBNK-Waters-WA001657 contains the MS mass spectrum of Dyphylline with the InChIkey KSCFJBIXMNOVSH-UHFFFAOYSA-N.

Chemical Info

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-WA001657
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:47:30.100345
MetadataModified 2024-01-11T22:47:30.260537
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB7177891 ChemicalBook
HMDB0014789 Human Metabolome Database
71919 Brenda
PA164748027 PharmGKB
82016 BindingDB
DYPHYLLINE rxnorm
976 DrugCentral
263T0E9RR9 FDA SRS
DTXSID6022975 EPA CompTox Dashboard
HY-B0128 MedChemExpress
PD002354 ProbesDrugs
NEOTHYLLINE clinicaltrials
LUFYLLIN clinicaltrials
DIPROPHYLLINE clinicaltrials
15020457 PubChem: Thomson Pharma
LSM-4299 LINCS
479-18-5 ACToR
Dyphylline(Dilor) Selleck
DYPHYLLINE clinicaltrials
7070 Guide to Pharmacology
3182 PubChem
SCHEMBL8192 SureChEMBL
MCULE-5509227834 Mcule
4728 ChEBI
J2.054K Nikkaji
20209339 NMRShiftDB
502884 eMolecules
CHEMBL1752 ChEMBL
DB00651 DrugBank
C07819 KEGG Ligand
The data in this table is sourced from UniChem at EBI.