MassBank Record: WA000203



 Cyclanilide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000203
RECORD_TITLE: Cyclanilide; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Cyclanilide CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H9Cl2NO3 CH$EXACT_MASS: 272.99595 CH$SMILES: OC(=O)C(C2)(C2)C(=O)Nc(c1)c(Cl)cc(Cl)c1 CH$IUPAC: InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17) CH$LINK: CAS 113136-77-9
AC$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 271.9 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0900000000-cd6fb7c08b95fbcd83cb PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 124 43 43 156 12 12 158 31 31 160 999 999 226 8 8 228 8 8 //