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Fluconazole MS3_2
SpectraBase Compound ID J6sLLw8wqkc
InChI InChI=1S/C11H8F2N3/c1-8(5-16-7-14-6-15-16)10-3-2-9(12)4-11(10)13/h2-7H,1H2/q+1/b8-5+
InChIKey MZQPTGKAIQEASN-VMPITWQZSA-N
Mol Weight 220.2 g/mol
Molecular Formula C11H8F2N3
Exact Mass 220.068629 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 88VVBrHmwnX
Name Fluconazole MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C11H8F2N3/c1-8(5-16-7-14-6-15-16)10-3-2-9(12)4-11(10)13/h2-7H,1H2/q+1/b8-5+
InChIKey MZQPTGKAIQEASN-VMPITWQZSA-N
Ion Polarity P
Ionization Type ESI
SMILES C=1(\C([CH2+])=C\N2N=CN=C2)C(=CC(=CC1)F)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