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Pentifylline-M (HO-) MS3_1
SpectraBase Compound ID KoM6R7JK4gw
InChI InChI=1S/C8H9N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,3H2,1-2H3/q+1
InChIKey HACRJLPXEIDNHT-UHFFFAOYSA-N
Mol Weight 193.19 g/mol
Molecular Formula C8H9N4O2
Exact Mass 193.072551 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AxIXqIyo2Wg
Name Lisofylline artifact (-H20) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C8H9N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,3H2,1-2H3/q+1
InChIKey HACRJLPXEIDNHT-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C=[N+]1C(N(C2=C(C1=O)N(C=N2)C)C)=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS