ACCESSION: MSBNK-Waters-WA000195
RECORD_TITLE: Cloprop; 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$NAME: Cloprop
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉ClO₃
CH$EXACT_MASS: 200.02402
CH$SMILES: OC(=O)C(C)Oc(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)
CH$LINK: CAS 101-10-0
CH$LINK: INCHIKEY YNTJKQDWYXUTLZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9034232

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 198.8
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004i-1910000000-31048b9445ef32aa8021
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  52 12 12
  54 8 8
  56 8 8
  58 8 8
  60 12 12
  62 8 8
  64 8 8
  66 8 8
  69 12 12
  71 47 47
  73 12 12
  74 16 16
  76 8 8
  79 20 20
  81 8 8
  82 16 16
  87 16 16
  88 8 8
  91 20 20
  93 12 12
  95 8 8
  97 8 8
  100 20 20
  102 8 8
  104 16 16
  106 8 8
  108 16 16
  110 8 8
  112 8 8
  114 12 12
  116 8 8
  118 8 8
  120 16 16
  123 35 35
  125 94 94
  127 999 999
  129 16 16
  131 12 12
  133 16 16
  135 8 8
  136 16 16
  138 12 12
  141 12 12
  144 8 8
  146 8 8
  149 12 12
  151 8 8
  154 12 12
  156 12 12
  157 8 8
  162 8 8
  164 8 8
  166 12 12
  168 8 8
  171 8 8
  173 8 8
  175 8 8
  178 12 12
  181 12 12
  183 8 8
  185 12 12
  187 12 12
  189 8 8
  191 16 16
  193 8 8
  194 8 8
  197 8 8
  199 16 16
  201 8 8
  202 8 8
  204 8 8
  206 16 16
  209 8 8
  213 8 8
  215 12 12
  218 12 12
  220 8 8
  221 8 8
  224 12 12
  225 8 8
  227 8 8
  230 8 8
  232 12 12
  234 8 8
  235 12 12
  237 8 8
  239 12 12
  242 8 8
  244 12 12
  246 8 8
  248 8 8
//