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Dipyridamole MS3_1
SpectraBase Compound ID CHBInMPgLjI
InChI InChI=1S/C19H29N8O/c1-20-18-22-14-15(16(24-18)26-9-4-2-5-10-26)23-19(21-8-13-28)25-17(14)27-11-6-3-7-12-27/h28H,1-13H2,(H,20,22,24)(H,21,23,25)/q+1
InChIKey HQHLEDFHYCGPCF-UHFFFAOYSA-N
Mol Weight 385.5 g/mol
Molecular Formula C19H29N8O
Exact Mass 385.246433 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID BjSPHZKK4Oj
Name Dipyridamole MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [95.00-400.00]
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InChI InChI=1S/C19H29N8O/c1-20-18-22-14-15(16(24-18)26-9-4-2-5-10-26)23-19(21-8-13-28)25-17(14)27-11-6-3-7-12-27/h28H,1-13H2,(H,20,22,24)(H,21,23,25)/q+1
InChIKey HQHLEDFHYCGPCF-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C=1N=C(C=2N=C(N=C(C2N1)N1CCCCC1)N[CH2+])N1CCCCC1)CCO
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