ACCESSION: MSBNK-Waters-WA000102
RECORD_TITLE: Tralkoxydim (isomer2); 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$NAME: Tralkoxydim (isomer2)
CH$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 30 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$SPLASH: splash10-0002-9600000000-81e0792d821b8ff74563
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  53 8 8
  55 24 24
  56 8 8
  64 8 8
  67 204 204
  68 55 55
  70 12 12
  72 486 486
  73 8 8
  77 8 8
  79 8 8
  82 137 137
  83 12 12
  84 27 27
  91 20 20
  93 63 63
  95 999 999
  98 486 486
  99 8 8
  104 39 39
  107 31 31
  110 176 176
  111 27 27
  113 24 24
  116 8 8
  118 16 16
  120 67 67
  121 157 157
  123 35 35
  126 8 8
  130 16 16
  133 106 106
  134 12 12
  135 67 67
  138 556 556
  139 43 43
  143 8 8
  145 63 63
  147 24 24
  149 16 16
  152 94 94
  153 8 8
  156 12 12
  158 12 12
  164 35 35
  166 43 43
  169 8 8
  170 20 20
  173 27 27
  181 8 8
  183 8 8
  186 8 8
  194 8 8
  197 8 8
  207 24 24
  209 16 16
  210 8 8
  213 8 8
  224 16 16
  226 12 12
  228 8 8
  235 8 8
  242 8 8
  250 8 8
  252 16 16
  267 12 12
  284 8 8
//