ACCESSION: MSBNK-Waters-WA000101
RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:20 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 20 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$SPLASH: splash10-000i-2920000000-692e97c639a157046715
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  67 35 35
  69 8 8
  71 67 67
  82 47 47
  84 12 12
  94 16 16
  95 282 282
  98 180 180
  108 12 12
  110 98 98
  113 47 47
  120 47 47
  121 243 243
  123 27 27
  133 59 59
  136 86 86
  138 999 999
  140 153 153
  145 27 27
  147 20 20
  148 8 8
  152 94 94
  164 157 157
  165 63 63
  173 51 51
  197 8 8
  209 8 8
  215 8 8
  224 12 12
  226 27 27
  228 12 12
  239 12 12
  242 16 16
  250 8 8
  252 12 12
  256 27 27
  267 102 102
  269 12 12
  270 8 8
  284 270 270
  285 47 47
//