ACCESSION: MSBNK-Waters-WA000198
RECORD_TITLE: Cloransulam-methyl; 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$NAME: Cloransulam-methyl
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₃ClFN₅O₅S
CH$EXACT_MASS: 429.03100
CH$SMILES: CCOC(=N3)n(n1)c(C=C(F)3)nc1S(=O)(=O)Nc(c(Cl)2)c(ccc2)C(=O)OC
CH$IUPAC: InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
CH$LINK: CAS 147150-35-4
CH$LINK: INCHIKEY BIKACRYIQSLICJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8034372

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 430
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4r-0945000000-545799ca766841e497c4
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  73 82 82
  74 8 8
  100 8 8
  111 16 16
  113 39 39
  124 20 20
  129 12 12
  138 16 16
  140 12 12
  144 8 8
  147 27 27
  153 752 752
  154 27 27
  157 20 20
  159 8 8
  164 114 114
  165 31 31
  166 243 243
  168 16 16
  171 27 27
  179 239 239
  181 16 16
  185 846 846
  187 35 35
  194 149 149
  195 8 8
  200 20 20
  202 51 51
  203 24 24
  206 12 12
  216 16 16
  220 16 16
  223 12 12
  230 153 153
  236 106 106
  243 8 8
  251 31 31
  258 576 576
  259 59 59
  261 8 8
  262 35 35
  264 35 35
  271 16 16
  277 12 12
  279 51 51
  286 59 59
  287 8 8
  298 24 24
  306 999 999
  307 20 20
  324 16 16
  327 8 8
  342 16 16
  370 541 541
  371 24 24
  398 12 12
//