ACCESSION: MSBNK-Waters-WA000228
RECORD_TITLE: Triclopyr; 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$NAME: Triclopyr
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₄Cl₃NO₃
CH$EXACT_MASS: 254.92568
CH$SMILES: OC(=O)COc(n1)c(Cl)cc(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
CH$LINK: CAS 55335-06-3
CH$LINK: INCHIKEY REEQLXCGVXDJSQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0032497

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 253.8
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0002-2950000000-007bd852c7c2a6053e62
PK$NUM_PEAK: 139
PK$PEAK: m/z int. rel.int.
  51 20 20
  54 35 35
  55 8 8
  57 78 78
  59 31 31
  61 51 51
  63 12 12
  64 63 63
  65 8 8
  67 47 47
  69 39 39
  71 39 39
  73 55 55
  75 63 63
  78 35 35
  79 39 39
  82 27 27
  84 24 24
  85 27 27
  87 39 39
  88 8 8
  90 35 35
  92 31 31
  95 16 16
  97 35 35
  98 43 43
  100 8 8
  101 27 27
  103 27 27
  105 35 35
  107 27 27
  109 27 27
  111 20 20
  112 47 47
  114 8 8
  115 43 43
  117 31 31
  119 24 24
  121 55 55
  123 31 31
  125 35 35
  127 24 24
  128 12 12
  130 35 35
  132 24 24
  134 12 12
  135 43 43
  137 31 31
  139 59 59
  141 24 24
  143 27 27
  144 12 12
  146 31 31
  147 55 55
  149 16 16
  151 43 43
  153 51 51
  155 27 27
  157 43 43
  159 16 16
  161 43 43
  162 8 8
  163 20 20
  165 35 35
  167 43 43
  169 27 27
  171 12 12
  173 47 47
  175 51 51
  177 43 43
  178 8 8
  180 31 31
  182 55 55
  184 31 31
  185 16 16
  187 51 51
  189 51 51
  190 16 16
  192 31 31
  194 43 43
  196 999 999
  198 39 39
  200 31 31
  202 8 8
  203 39 39
  205 31 31
  207 20 20
  209 47 47
  210 31 31
  213 12 12
  215 39 39
  217 8 8
  218 31 31
  221 47 47
  222 20 20
  224 47 47
  226 24 24
  228 35 35
  230 39 39
  232 59 59
  235 24 24
  237 31 31
  239 20 20
  241 31 31
  244 35 35
  246 31 31
  248 31 31
  250 43 43
  252 20 20
  254 16 16
  255 118 118
  256 24 24
  258 39 39
  260 35 35
  262 27 27
  264 31 31
  266 27 27
  269 43 43
  270 20 20
  272 47 47
  274 20 20
  275 47 47
  277 27 27
  279 55 55
  281 35 35
  283 39 39
  284 8 8
  285 16 16
  287 47 47
  289 43 43
  291 16 16
  292 35 35
  294 31 31
  295 12 12
  297 43 43
  298 12 12
  300 43 43
  302 43 43
  303 20 20
//