MassBank Record: WA000032



 Indoxacarb; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000032
RECORD_TITLE: Indoxacarb; LC-ESI-QQ; MS2; CE:50 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$NAME: Indoxacarb CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H17ClF3N3O7 CH$EXACT_MASS: 527.07071 CH$SMILES: COC(=O)N(c(c4)ccc(OC(F)(F)F)c4)C(=O)N(C3)N=C(c21)C(O3)(C(=O)OC)Cc(cc(Cl)cc2)1 CH$IUPAC: InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1 CH$LINK: CAS 173584-44-6
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: PRECURSOR_M/Z 528.25 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0930000000-e517cac03bd04d34b41c PK$NUM_PEAK: 68 PK$PEAK: m/z int. rel.int. 100 8 8 102 8 8 104 188 188 105 31 31 109 16 16 112 12 12 114 24 24 115 39 39 116 20 20 117 8 8 123 24 24 124 8 8 125 16 16 126 82 82 127 94 94 128 43 43 129 12 12 131 27 27 132 55 55 133 35 35 134 188 188 135 20 20 136 8 8 137 16 16 139 16 16 141 12 12 142 43 43 143 8 8 147 12 12 148 43 43 149 153 153 150 435 435 151 71 71 152 39 39 155 35 35 156 27 27 157 12 12 160 8 8 161 24 24 162 588 588 163 86 86 164 59 59 165 16 16 167 102 102 168 16 16 174 35 35 175 78 78 177 82 82 178 16 16 179 63 63 180 8 8 188 47 47 189 8 8 190 200 200 191 27 27 192 8 8 194 24 24 195 20 20 197 8 8 202 110 110 203 999 999 204 55 55 205 8 8 207 8 8 215 8 8 217 27 27 218 31 31 219 12 12 //