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Prasugrel
SpectraBase Compound ID EG8u0jM7URS
InChI InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3
InChIKey DTGLZDAWLRGWQN-UHFFFAOYSA-N
Mol Weight 373.44 g/mol
Molecular Formula C20H20FNO3S
Exact Mass 373.114793 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 20RbJsiaAL7
Name Prasugrel MS2
Comments F: ITMS + c ESI d w Full ms2 374.30
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Formula C20H20FNO3S
InChI InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3
InChIKey DTGLZDAWLRGWQN-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C1N(CC2=C(C1)SC(=C2)OC(C)=O)C(C1=CC=CC=C1F)C(=O)C1CC1
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 ms2
Technique ITMS