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MassBank Record: WA000258

Florasulam; LC-ESI-QQ; MS2; CE:60 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000258
RECORD_TITLE: Florasulam; 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$NAME: Florasulam
CH$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 60 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$SPLASH: splash10-056r-2900000000-398e0495c7658859097f
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  51 12 12
  53 8 8
  57 12 12
  62 39 39
  63 12 12
  78 16 16
  80 20 20
  82 188 188
  85 12 12
  89 153 153
  96 20 20
  100 8 8
  101 161 161
  103 8 8
  107 12 12
  109 505 505
  111 16 16
  113 8 8
  124 12 12
  127 8 8
  129 999 999
  130 27 27
  144 12 12
//

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