ACCESSION: MSBNK-Waters-WA000080
RECORD_TITLE: Dimethirimol; 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$NAME: Dimethirimol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₉N₃O
CH$EXACT_MASS: 209.15281
CH$SMILES: CCCCc(c(C)1)c(O)nc(N(C)C)n1
CH$IUPAC: InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
CH$LINK: CAS 5221-53-4
CH$LINK: INCHIKEY CJHXCRMKMMBYJQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8041874

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 210.05
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00di-9100000000-03eee87904901d2cc27d
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  53 47 47
  55 157 157
  56 35 35
  65 8 8
  67 55 55
  69 137 137
  71 999 999
  72 12 12
  77 16 16
  80 24 24
  82 43 43
  83 20 20
  91 8 8
  92 12 12
  94 27 27
  95 168 168
  97 114 114
  107 24 24
  109 31 31
  122 16 16
  124 43 43
  138 24 24
  152 71 71
  166 16 16
//