ACCESSION: MSBNK-Waters-WA000193
RECORD_TITLE: Cloprop; LC-ESI-QQ; MS2; CE:20 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 20 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$SPLASH: splash10-004i-0900000000-d3b4cae67d2c56de9688
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  71 16 16
  125 8 8
  127 999 999
  199 16 16
//