ACCESSION: MSBNK-Waters-WA000096
RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQ; MS2; CE:50 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$NAME: Tralkoxydim (isomer1)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₇NO₃
CH$EXACT_MASS: 329.19909
CH$SMILES: CCON=C(CC)C(=C(O)2)C(=O)CC(C2)c(c(C)1)c(C)cc(C)c1
CH$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/h8-9,15,22H,6-7,10-11H2,1-5H3/b21-16+
CH$LINK: CAS 87820-88-0
CH$LINK: INCHIKEY DQFPEYARZIQXRM-LTGZKZEYSA-N

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 328.4
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0gc0-5950000000-97981036e846cdd699de
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  52 27 27
  57 8 8
  59 27 27
  64 12 12
  66 999 999
  67 35 35
  80 8 8
  82 141 141
  83 12 12
  90 12 12
  93 20 20
  95 16 16
  109 35 35
  119 200 200
  121 47 47
  134 568 568
  135 27 27
  143 43 43
  144 24 24
  146 8 8
  155 12 12
  157 27 27
  159 51 51
  167 12 12
  169 51 51
  171 364 364
  172 16 16
  182 8 8
  185 129 129
  187 47 47
  188 12 12
  192 8 8
  194 278 278
  196 63 63
  197 12 12
  209 8 8
  210 12 12
  212 321 321
  213 35 35
  218 8 8
  219 16 16
  221 8 8
  227 12 12
  234 8 8
  236 24 24
  239 12 12
  254 670 670
  255 39 39
//