MassBank Record: MSBNK-Waters-WA000202

Cyclanilide; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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ACCESSION: MSBNK-Waters-WA000202
RECORD_TITLE: Cyclanilide; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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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

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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 30 V

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

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PK$SPLASH: splash10-03di-0900000000-0a2efae029201108b560
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  158 12 12
  160 999 999
  192 12 12
  226 12 12
  228 63 63
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