ACCESSION: MSBNK-Waters-WA000200
RECORD_TITLE: Cyclanilide; LC-ESI-QQ; MS2; CE:10 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$NAME: Cyclanilide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₉Cl₂NO₃
CH$EXACT_MASS: 272.99595
CH$SMILES: OC(=O)C(C2)(C2)C(=O)Nc(c(Cl)1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C11H9Cl2NO3/c12-6-2-1-3-7(13)8(6)14-9(15)11(4-5-11)10(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17)
CH$LINK: CAS 113136-77-9
CH$LINK: INCHIKEY ZDPIRDKFNASDAO-UHFFFAOYSA-N

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 10 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 271.9
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00di-0090000000-a6aa253604ad390cd322
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  160 8 8
  228 118 118
  272 999 999
//