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Voriconazole-M (HO-triazole-) MS3_1
SpectraBase Compound ID 1RLfCIc3wKC
InChI InChI=1S/C14H12F3N2O/c1-8(13-12(17)6-18-7-19-13)14(2,20)10-4-3-9(15)5-11(10)16/h3-8,20H,2H2,1H3/q+1
InChIKey KJXVESNVHFTJFG-UHFFFAOYSA-N
Mol Weight 281.26 g/mol
Molecular Formula C14H12F3N2O
Exact Mass 281.090173 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID KzruGuoaH5W
Name Voriconazole-M (glucuronide) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-295.00]
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InChI InChI=1S/C14H12F3N2O/c1-8(13-12(17)6-18-7-19-13)14(2,20)10-4-3-9(15)5-11(10)16/h3-8,20H,2H2,1H3/q+1
InChIKey KJXVESNVHFTJFG-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC([CH2+])(C1=C(C=C(C=C1)F)F)C(C)C1=C(C=NC=N1)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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS