ACCESSION: MSBNK-Waters-WA000244
RECORD_TITLE: Flumetsulam; LC-ESI-QQ; MS2; CE:60 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 60 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$SPLASH: splash10-0a6r-0900000000-814371bbce55788722f0
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  101 501 501
  103 20 20
  105 16 16
  107 114 114
  109 944 944
  110 47 47
  115 12 12
  119 12 12
  123 16 16
  126 16 16
  129 999 999
  130 39 39
  134 16 16
  144 12 12
  147 8 8
//