ACCESSION: MSBNK-Waters-WA000031
RECORD_TITLE: Indoxacarb; 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: 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 40 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$SPLASH: splash10-0udi-0950000000-10bc7c64dc1d23649cbd
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  103 74 74
  104 27 27
  105 8 8
  115 16 16
  116 8 8
  118 16 16
  125 8 8
  127 27 27
  128 20 20
  131 31 31
  132 145 145
  134 31 31
  136 8 8
  141 8 8
  142 16 16
  148 16 16
  150 627 627
  151 51 51
  152 20 20
  154 20 20
  155 31 31
  156 16 16
  161 8 8
  162 309 309
  163 59 59
  164 27 27
  165 12 12
  166 24 24
  167 35 35
  168 8 8
  169 8 8
  174 20 20
  175 35 35
  176 63 63
  177 20 20
  178 8 8
  179 55 55
  181 12 12
  188 47 47
  189 59 59
  190 333 333
  191 27 27
  195 86 86
  202 47 47
  203 999 999
  204 27 27
  206 12 12
  207 39 39
  215 8 8
  217 82 82
  218 125 125
  219 20 20
  223 16 16
  231 16 16
//