MassBank Record: WA000076



 Simeconazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000076
RECORD_TITLE: Simeconazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Simeconazole CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H20FN3OSi CH$EXACT_MASS: 293.13597 CH$SMILES: Fc(c2)ccc(c2)C(O)(Cn(c1)ncn1)C[Si](C)(C)C CH$IUPAC: InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3 CH$LINK: CAS 149508-90-7
AC$INSTRUMENT: QuattroPremier XE, Waters AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: PRECURSOR_M/Z 294.19 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-9300000000-3966dfbbb380d8c4f910 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 70 999 999 73 360 360 75 71 71 77 8 8 109 39 39 115 184 184 133 47 47 135 212 212 136 8 8 153 8 8 //