ACCESSION: MSBNK-Waters-WA000223
RECORD_TITLE: Thifensulfuron-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$NAME: Thifensulfuron-methyl
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₃N₅O₆S₂
CH$EXACT_MASS: 387.03072
CH$SMILES: COc(n2)nc(nc(C)2)NC(=O)NS(=O)(=O)c(c1)c(sc1)C(=O)OC
CH$IUPAC: InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
CH$LINK: CAS 79277-27-3
CH$LINK: INCHIKEY AHTPATJNIAFOLR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1024124

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 388
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0ar0-7910000000-f7e38cd271558e8f1d54
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  56 588 588
  58 411 411
  59 16 16
  67 27 27
  69 200 200
  70 20 20
  73 16 16
  78 172 172
  83 646 646
  85 94 94
  87 31 31
  98 74 74
  100 63 63
  103 16 16
  108 8 8
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  115 16 16
  124 8 8
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  127 31 31
  141 427 427
  143 12 12
  167 999 999
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  175 192 192
  190 31 31
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  207 43 43
  216 35 35
  251 8 8
//