ACCESSION: MSBNK-Waters-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: CC BY-NC

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$LINK: CAS 173584-44-6
CH$LINK: INCHIKEY VBCVPMMZEGZULK-NRFANRHFSA-N
CH$LINK: COMPTOX DTXSID1032690

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
//