ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009945
RECORD_TITLE: ETHYL 5,9,13-TRIMETHYL-(2E,4E,8Z,12E)-2,4,8,12-TETRADECATETRAENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 5,9,13-TRIMETHYL-(2E,4E,8Z,12E)-2,4,8,12-TETRADECATETRAENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₀O₂
CH$EXACT_MASS: 290.22458
CH$SMILES: CCOC(=O)C=CC=C(C)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C19H30O2/c1-6-21-19(20)15-9-14-18(5)13-8-12-17(4)11-7-10-16(2)3/h9-10,12,14-15H,6-8,11,13H2,1-5H3/b15-9+,17-12-,18-14+
CH$LINK: INCHIKEY WXCIIDBUNPXVPR-OBAPAJOLSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0159-9200000000-a9f1bacc1ab43b041fd6
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  27 2.7 27
  28 38.3 383
  29 9.8 98
  32 1.09 11
  39 3.1 31
  41 28.3 283
  43 4.7 47
  53 0.47 5
  54 0.5 5
  55 6.4 64
  56 0.5 5
  57 0.23 2
  65 1.6 16
  67 6.4 64
  68 5.5 55
  69 99.99 999
  70 5.5 55
  71 1.3 13
  77 3.1 31
  79 0.83 8
  80 10.9 109
  81 57.2 572
  82 4.7 47
  88 0.16 2
  91 3.1 31
  92 0.5 5
  93 6.4 64
  94 0.05 1
  95 7.7 77
  96 0.5 5
  97 1.6 16
  105 0.28 3
  107 4.1 41
  108 2.8 28
  109 5.2 52
  110 0.05 1
  111 2.8 28
  119 1.6 16
  121 2.3 23
  123 0.27 3
  125 2.8 28
  133 3.1 31
  135 1.6 16
  136 0.16 2
  137 6.3 63
  138 0.5 5
  139 10.9 109
  140 0.05 1
  147 3.3 33
  148 0.5 5
  149 0.5 5
  151 0.34 3
  152 0.5 5
  154 22 220
  155 3.1 31
  161 0.16 2
  166 1.7 17
  167 1.5 15
  169 0.8 8
  175 0.14 1
  176 0.7 7
  177 2 20
  178 1 10
  179 0.21 2
  180 0.9 9
  197 1.6 16
  202 1.1 11
  203 0.09 1
  205 2 20
  207 0.8 8
  208 0.8 8
  216 0.11 1
  217 1.4 14
  219 1 10
  221 1.7 17
  245 0.08 1
  247 1.3 13
  290 2.8 28
  291 0.8 8
//