Dataset

Pentoxifylline

This MassBank record with Accession MSBNK-Eawag-EQ01149906 contains the MS2 mass spectrum of Pentoxifylline with the InChIkey BYPFEZZEUUWMEJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
SMILES CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
InChI Key BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Molecular Formula C13H18N4O3
Exact Mass 278.138 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-EQ01149906
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:11:58.160344
MetadataModified 2025-02-09T10:11:58.365388
MetadataPublished 2024-05-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
138805 Brenda
HMDB0014944 Human Metabolome Database
209606 Brenda
pentoxifylline DailyMed
CB5721652 ChemicalBook
MCULE-9951939936 Mcule
4740 PubChem
PD000975 ProbesDrugs
SD6QCT3TSU FDA SRS
LSM-3285 LINCS
14799544 PubChem: Thomson Pharma
6493-05-6 ACToR
PA450864 PharmGKB
SCHEMBL34039 SureChEMBL
715662 eMolecules
PENTOXIFYLLINE DailyMed
10850 BindingDB
C04AD03 clinicaltrials
PENTOXIFYLLINE clinicaltrials
PENTOXIL clinicaltrials
BL 191 clinicaltrials
BL-191 clinicaltrials
TRENTAL clinicaltrials
HY-B0715 MedChemExpress
7986 ChEBI
DTXSID7023437 EPA CompTox Dashboard
2099 DrugCentral
ZINC000001530776 ZINC
7095 Guide to Pharmacology
J3.419C Nikkaji
JAKGEH CCDC
PENTOXIFYLLINE rxnorm
DB00806 DrugBank
PNX PDBe
CHEMBL628 ChEMBL
C07424 KEGG Ligand
SAM001247011 NIH Clinical Collection
81044341 PubChem: Drugs of the Future
The data in this table is sourced from UniChem at EBI.