ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009946
RECORD_TITLE: ETHYL 5,9,13-TRIMETHYL-(2E,4E,8E,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$NAME: ETHYL 5,9,13-TRIMETHYL-(2E,4E,8E,12E)-2,4,8,12-TETRADECATETRAENOATE
CH$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-GQHNWBNOSA-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$SPLASH: splash10-014i-9400000000-355dd9f521361bb8014d
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  27 0.9 9
  29 4.5 45
  39 2 20
  41 1.95 20
  43 1.6 16
  53 3.9 39
  55 4.5 45
  65 0.11 1
  67 5.5 55
  68 5.3 53
  69 99.99 999
  70 0.55 6
  77 3.1 31
  79 8.8 88
  80 11.1 111
  81 5.86 59
  82 3.6 36
  91 2.3 23
  93 4.7 47
  95 0.78 8
  97 0.2 2
  105 1.9 19
  107 3.1 31
  108 0.28 3
  109 2.2 22
  111 2 20
  119 0.3 3
  121 0.16 2
  123 0.8 8
  125 2.3 23
  133 1.1 11
  135 0.03 0
  136 1.9 19
  137 10.9 109
  138 0.8 8
  139 1.08 11
  147 1.9 19
  154 39.8 398
  155 3.9 39
  160 0.02 0
  161 0.7 7
  162 0.1 1
  165 0.2 2
  166 0.33 3
  167 2.2 22
  168 0.3 3
  171 0.1 1
  173 0.02 0
  175 0.7 7
  176 0.2 2
  177 2 20
  178 0.03 0
  179 0.3 3
  180 0.2 2
  181 0.2 2
  193 0.01 0
  201 0.2 2
  202 0.5 5
  203 0.3 3
  205 0.06 1
  206 0.2 2
  207 0.5 5
  208 0.2 2
  216 0.04 0
  217 0.5 5
  219 0.3 3
  222 0.1 1
  234 0.3 3
  244 0.2 2
  245 0.58 6
  246 1.1 11
  247 1.5 15
  248 0.3 3
  275 0.05 1
  290 2.1 21
  291 0.4 4
//