ACCESSION: MSBNK-Waters-WA000241
RECORD_TITLE: Flumetsulam; LC-ESI-QQ; MS2; CE:30 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 30 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$SPLASH: splash10-004i-0900000000-6f2a6a961b1e1a45b142
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  66 8 8
  78 12 12
  93 43 43
  101 12 12
  106 20 20
  107 8 8
  108 24 24
  127 20 20
  129 999 999
  130 16 16
  134 63 63
  135 12 12
  144 71 71
  153 12 12
  201 8 8
  262 8 8
//