Dataset

Pentoxifylline; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA2214155BE0PH contains the MS2 mass spectrum of Pentoxifylline with the InChIkey BYPFEZZEUUWMEJ-UHFFFAOYSA-N.

Chemical Information

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 CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C
InChI Key BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Molecular Formula C13H18N4O3
Exact Mass 278.138 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA2214155BE0PH
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MetadataPublished 2023-08-12
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    Measurement Technique liquid chromatography-mass spectrometry
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    PNX rcsb_pdb
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    34039 surechembl
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    PD000975 probes_and_drugs
    JAKGEH CCDC
    138805 brenda
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    DTXSID7023437 comptox
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    Molport-001-823-263 molport
    2099 drugcentral
    10850 bindingdb
    The data in this table is sourced from UniChem at EBI.