MassBank Record: MSBNK-Waters-WA000268

Forchlorfenuron; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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ACCESSION: MSBNK-Waters-WA000268
RECORD_TITLE: Forchlorfenuron; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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CH$NAME: Forchlorfenuron
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀ClN₃O
CH$EXACT_MASS: 247.05124
CH$SMILES: O=C(Nc(c2)cccc2)Nc(c1)cc(Cl)nc1
CH$IUPAC: InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
CH$LINK: CAS 68157-60-8
CH$LINK: INCHIKEY GPXLRLUVLMHHIK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1034634

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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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

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MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 247.9
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-0006-9100000000-4e4d26b6874ad575a844
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  66 306 306
  76 39 39
  90 31 31
  93 999 999
  94 16 16
  119 86 86
  129 184 184
  155 20 20
//