ACCESSION: MSBNK-Waters-WA000273
RECORD_TITLE: Mecoprop; 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$NAME: Mecoprop
CH$NAME: MCPP-P
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁ClO₃
CH$EXACT_MASS: 214.03967
CH$SMILES: OC(=O)C(C)Oc(c1)c(C)cc(Cl)c1
CH$IUPAC: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
CH$LINK: CAS 7085-19-0
CH$LINK: INCHIKEY WNTGYJSOUMFZEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9024194

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 40 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 212.9
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0006-2940000000-ccc5fb85d1bfed4505d7
PK$NUM_PEAK: 145
PK$PEAK: m/z int. rel.int.
  51 35 35
  53 35 35
  55 51 51
  56 8 8
  57 35 35
  59 39 39
  61 12 12
  62 35 35
  64 31 31
  66 51 51
  68 59 59
  69 8 8
  70 43 43
  72 8 8
  73 47 47
  75 51 51
  77 157 157
  79 27 27
  81 47 47
  82 16 16
  84 51 51
  85 8 8
  87 51 51
  89 55 55
  90 35 35
  92 31 31
  94 27 27
  95 12 12
  97 55 55
  100 31 31
  102 39 39
  103 12 12
  105 451 451
  107 47 47
  109 27 27
  111 31 31
  112 8 8
  114 43 43
  116 67 67
  117 16 16
  118 39 39
  120 47 47
  121 12 12
  123 43 43
  125 43 43
  127 47 47
  129 8 8
  130 35 35
  132 12 12
  133 51 51
  135 31 31
  137 35 35
  139 27 27
  141 999 999
  142 51 51
  145 35 35
  146 98 98
  148 24 24
  149 59 59
  151 31 31
  153 12 12
  154 39 39
  156 35 35
  157 12 12
  159 59 59
  160 12 12
  162 47 47
  163 43 43
  165 47 47
  167 24 24
  169 35 35
  170 35 35
  172 39 39
  174 20 20
  175 47 47
  177 27 27
  180 31 31
  182 39 39
  183 8 8
  184 141 141
  186 31 31
  188 16 16
  189 47 47
  191 39 39
  193 8 8
  194 31 31
  196 55 55
  198 35 35
  200 47 47
  202 43 43
  203 8 8
  204 55 55
  206 16 16
  207 47 47
  209 16 16
  211 51 51
  212 27 27
  214 39 39
  216 12 12
  218 43 43
  220 27 27
  221 12 12
  223 39 39
  224 12 12
  225 51 51
  227 27 27
  229 43 43
  232 55 55
  233 27 27
  235 24 24
  237 20 20
  239 43 43
  241 24 24
  242 24 24
  244 39 39
  246 27 27
  248 51 51
  250 43 43
  253 27 27
  255 43 43
  257 12 12
  258 31 31
  260 27 27
  262 27 27
  264 47 47
  265 12 12
  267 51 51
  269 12 12
  270 39 39
  272 35 35
  274 51 51
  276 20 20
  278 39 39
  280 39 39
  282 35 35
  284 20 20
  285 74 74
  287 31 31
  289 8 8
  290 39 39
  292 24 24
  293 8 8
  294 27 27
  297 24 24
  299 39 39
//