ACCESSION: MSBNK-Waters-WA000103
RECORD_TITLE: Tralkoxydim (isomer2); 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$NAME: Tralkoxydim (isomer2)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₇NO₃
CH$EXACT_MASS: 329.19909
CH$SMILES: CCONC(CC)=C(C(=O)2)C(=O)CC(C2)c(c(C)1)c(C)cc(C)c1
CH$IUPAC: InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3/b20-16-
CH$LINK: CAS 87820-88-0
CH$LINK: INCHIKEY SOTLWPHEAQOHHC-SILNSSARSA-N

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 330.3
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-006t-9300000000-aaab6480641d5b461a2f
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  52 8 8
  54 51 51
  55 98 98
  65 27 27
  66 24 24
  67 486 486
  69 47 47
  72 854 854
  73 8 8
  77 27 27
  79 39 39
  80 8 8
  82 176 176
  84 31 31
  85 12 12
  91 71 71
  93 153 153
  96 999 999
  97 654 654
  99 8 8
  102 8 8
  105 133 133
  106 12 12
  107 47 47
  110 165 165
  111 43 43
  113 8 8
  115 12 12
  117 31 31
  118 12 12
  119 51 51
  122 74 74
  124 24 24
  126 8 8
  128 20 20
  129 67 67
  131 8 8
  133 161 161
  135 71 71
  136 12 12
  138 137 137
  139 8 8
  143 24 24
  145 67 67
  147 24 24
  149 24 24
  152 47 47
  154 12 12
  155 24 24
  158 16 16
  164 16 16
  166 20 20
  167 8 8
  169 20 20
  171 12 12
  173 16 16
  179 20 20
  181 24 24
  183 8 8
  186 8 8
  192 27 27
  194 24 24
  195 16 16
  197 8 8
  207 27 27
  209 24 24
  210 12 12
  224 16 16
  226 8 8
  235 8 8
//