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MassBank Record: WA000201

Cyclanilide; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000201
RECORD_TITLE: Cyclanilide; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
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$SMILES: OC(=O)C(C2)(C2)C(=O)Nc(c1)c(Cl)cc(Cl)c1
CH$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$LINK: CAS 113136-77-9
CH$LINK: INCHIKEY GLWWLNJJJCTFMZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5032600

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 271.9
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03i0-0790000000-3e7ac54e667fd0e6adfb
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  158 8 8
  160 999 999
  192 47 47
  226 8 8
  228 999 999
  229 8 8
  270 8 8
  272 196 196
//

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