ACCESSION: MSBNK-Waters-WA000248
RECORD_TITLE: Fluroxypyr; 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$NAME: Fluroxypyr
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅Cl₂FN₂O₃
CH$EXACT_MASS: 253.96613
CH$SMILES: OC(=O)COc(n1)c(Cl)c(N)c(Cl)c(F)1
CH$IUPAC: InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)
CH$LINK: CAS 69377-81-7
CH$LINK: INCHIKEY MEFQWPUMEMWTJP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2034627

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 252.8
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0532-2940000000-41292ee3eaef932e8c8e
PK$NUM_PEAK: 146
PK$PEAK: m/z int. rel.int.
  51 20 20
  52 51 51
  54 31 31
  56 63 63
  58 39 39
  60 31 31
  62 51 51
  63 12 12
  65 35 35
  67 47 47
  68 12 12
  70 47 47
  72 27 27
  74 35 35
  75 110 110
  77 27 27
  78 63 63
  79 12 12
  81 71 71
  83 67 67
  84 8 8
  85 51 51
  87 31 31
  89 86 86
  91 20 20
  92 51 51
  93 8 8
  95 59 59
  96 16 16
  97 43 43
  99 24 24
  100 223 223
  102 39 39
  105 55 55
  107 47 47
  108 12 12
  110 51 51
  111 12 12
  112 51 51
  114 20 20
  115 27 27
  117 43 43
  119 20 20
  120 47 47
  121 27 27
  123 43 43
  125 20 20
  127 27 27
  129 31 31
  130 411 411
  132 106 106
  134 35 35
  135 35 35
  137 71 71
  139 35 35
  141 43 43
  143 47 47
  145 27 27
  147 31 31
  149 39 39
  151 55 55
  152 16 16
  154 59 59
  155 16 16
  157 266 266
  159 486 486
  160 16 16
  162 47 47
  163 27 27
  165 27 27
  167 8 8
  168 51 51
  171 43 43
  172 43 43
  174 227 227
  176 47 47
  178 35 35
  180 20 20
  182 35 35
  183 20 20
  185 43 43
  186 8 8
  187 24 24
  189 35 35
  191 31 31
  193 43 43
  195 999 999
  196 24 24
  198 63 63
  200 27 27
  202 86 86
  204 35 35
  206 35 35
  207 16 16
  209 27 27
  211 35 35
  213 71 71
  216 39 39
  218 31 31
  220 71 71
  222 31 31
  224 51 51
  226 35 35
  228 51 51
  230 20 20
  231 31 31
  233 51 51
  235 31 31
  237 39 39
  238 55 55
  240 43 43
  243 35 35
  245 47 47
  247 12 12
  249 31 31
  251 63 63
  253 27 27
  255 43 43
  256 24 24
  259 55 55
  261 20 20
  262 39 39
  264 8 8
  265 20 20
  267 55 55
  269 27 27
  270 12 12
  271 27 27
  273 31 31
  274 20 20
  276 63 63
  278 24 24
  280 47 47
  281 31 31
  283 51 51
  285 63 63
  287 16 16
  288 39 39
  290 55 55
  292 20 20
  294 8 8
  295 35 35
  297 39 39
  299 39 39
  301 51 51
  302 16 16
//