ACCESSION: MSBNK-Waters-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: 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 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
//