ACCESSION: MSBNK-Waters-WA000242
RECORD_TITLE: Flumetsulam; 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

CH$NAME: Flumetsulam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₉F₂N₅O₂S
CH$EXACT_MASS: 325.04450
CH$SMILES: CC(C=3)=Nc(n1)n(C3)nc1S(=O)(=O)Nc(c(F)2)c(F)ccc2
CH$IUPAC: InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3
CH$LINK: CAS 98967-40-9
CH$LINK: INCHIKEY RXCPQSJAVKGONC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4032615

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

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 326
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004i-1900000000-e406c5409e802daaaed8
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  66 20 20
  78 24 24
  80 8 8
  82 27 27
  88 12 12
  91 8 8
  93 86 86
  101 47 47
  102 8 8
  106 31 31
  108 125 125
  109 31 31
  124 8 8
  127 12 12
  129 999 999
  130 16 16
  134 39 39
  135 8 8
  144 67 67
  153 8 8
//