MassBank Record: WA000030



 Indoxacarb; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000030
RECORD_TITLE: Indoxacarb; LC-ESI-QQ; MS2; CE:30 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 30 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: splash10-0uxr-0980000000-eb101ea906399e6fedcc PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 102 12 12 104 35 35 117 8 8 127 12 12 131 16 16 132 176 176 133 8 8 137 16 16 149 102 102 150 999 999 151 74 74 152 27 27 155 51 51 156 8 8 160 8 8 161 59 59 162 102 102 163 39 39 164 27 27 165 8 8 167 31 31 168 8 8 169 8 8 174 8 8 175 16 16 176 16 16 177 27 27 178 8 8 179 63 63 180 8 8 188 27 27 189 239 239 190 752 752 192 47 47 193 8 8 194 20 20 195 90 90 196 8 8 199 8 8 202 27 27 203 979 979 204 24 24 207 78 78 208 8 8 213 16 16 214 43 43 215 20 20 216 74 74 217 231 231 218 960 960 219 102 102 220 16 16 221 16 16 223 192 192 225 8 8 231 24 24 248 31 31 249 90 90 250 12 12 263 59 59 264 8 8 293 12 12 389 8 8 //