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Idelalisib MS3_1
SpectraBase Compound ID LkZLLMCDKW0
InChI InChI=1S/C17H14FN2O/c1-2-7-15-19-14-11-6-10-13(18)16(14)17(21)20(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3/q+1
InChIKey JEWHPYGFBCKZEP-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C17H14FN2O
Exact Mass 281.109016 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6lqrXx9hE9v
Name Idelalisib MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-295.00]
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Formula C17H14FN2O
InChI InChI=1S/C17H14FN2O/c1-2-7-15-19-14-11-6-10-13(18)16(14)17(21)20(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3/q+1
InChIKey JEWHPYGFBCKZEP-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C12=CC=CC(=C2C(N(C(=N1)[CH+]CC)C=1C=CC=CC1)=O)F
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