MassBank Record: WA000200



 Cyclanilide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000200
RECORD_TITLE: Cyclanilide; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (2007.08.01, 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 //