ACCESSION: MSBNK-Waters-WA000260
RECORD_TITLE: Florasulam; LC-ESI-QQ; MS2; CE:80 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$NAME: Florasulam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₈F₃N₅O₃S
CH$EXACT_MASS: 359.02999
CH$SMILES: COC(=N3)n(n1)c(C(F)=C3)nc1S(=O)(=O)Nc(c(F)2)c(F)ccc2
CH$IUPAC: InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3
CH$LINK: CAS 145701-23-1
CH$LINK: INCHIKEY QZXATCCPQKOEIH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7044340

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 80 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 360
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-053r-9500000000-8d502c5cbc4f21b31bbc
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  51 86 86
  53 27 27
  57 82 82
  59 24 24
  61 31 31
  62 396 396
  64 63 63
  65 8 8
  67 8 8
  69 12 12
  71 16 16
  72 20 20
  75 39 39
  76 86 86
  78 16 16
  80 141 141
  82 999 999
  83 55 55
  85 59 59
  87 20 20
  89 329 329
  93 8 8
  97 63 63
  98 12 12
  99 20 20
  101 454 454
  102 51 51
  104 8 8
  107 31 31
  109 690 690
  110 24 24
  112 8 8
  114 24 24
  115 12 12
  126 8 8
  129 411 411
  130 16 16
  139 8 8
//