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Fenticonazole
SpectraBase Compound ID 3ExP0ITHSrG
InChI InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2
InChIKey ZCJYUTQZBAIHBS-UHFFFAOYSA-N
Mol Weight 455.4 g/mol
Molecular Formula C24H20Cl2N2OS
Exact Mass 454.06734 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DIUmrylZqGg
Name Fenticonazole
CAS Registry Number 72479-26-6
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-480.00]
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Formula C24H20Cl2N2OS
InChI InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2
InChIKey ZCJYUTQZBAIHBS-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C=1C(C(OCC2=CC=C(C=C2)SC2=CC=CC=C2)CN2C=CN=C2)=C(C=C(C1)Cl)Cl
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