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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 5plvODGAHwk
Name Prasugrel
CAS Registry Number 150322-43-3
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-400.00]
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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
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C(N1CC=2C=C(OC(=O)C)SC2CC1)(C(C1CC1)=O)C=1C(F)=CC=CC1
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD