ACCESSION: MSBNK-Waters-WA000199
RECORD_TITLE: Cloransulam-methyl; LC-ESI-QQ; MS2; CE:40 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 40 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$SPLASH: splash10-0udi-0910000000-25368b978841e2ecbd67
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  73 20 20
  74 8 8
  90 8 8
  97 8 8
  101 8 8
  103 20 20
  109 8 8
  111 27 27
  113 82 82
  115 8 8
  117 8 8
  123 12 12
  124 90 90
  126 12 12
  129 20 20
  131 8 8
  136 39 39
  137 12 12
  139 24 24
  143 8 8
  147 16 16
  150 12 12
  153 999 999
  154 31 31
  157 12 12
  159 16 16
  164 274 274
  165 35 35
  167 215 215
  168 24 24
  172 39 39
  174 8 8
  179 255 255
  180 16 16
  185 157 157
  186 16 16
  188 8 8
  194 35 35
  200 20 20
  202 55 55
  204 12 12
  206 8 8
  215 8 8
  216 8 8
  223 27 27
  230 90 90
  236 71 71
  243 8 8
  251 16 16
  258 137 137
  260 12 12
  263 8 8
  271 8 8
  279 8 8
  286 12 12
  306 35 35
//