ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010037
RECORD_TITLE: 5,9,13,17-TETRAMETHYL 4,8,12,16-OCTADECATETRAENOIC ACID; 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$NAME: 5,9,13,17-TETRAMETHYL 4,8,12,16-OCTADECATETRAENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₆O₂
CH$EXACT_MASS: 332.27153
CH$SMILES: CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(O)=O
CH$IUPAC: InChI=1S/C22H36O2/c1-18(2)10-6-11-19(3)12-7-13-20(4)14-8-15-21(5)16-9-17-22(23)24/h10,12,14,16H,6-9,11,13,15,17H2,1-5H3,(H,23,24)/b19-12+,20-14+,21-16+
CH$LINK: INCHIKEY PIJHYAQKPAXLRO-RFRQLJORSA-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$SPLASH: splash10-0159-9300000000-662f06b06fd39720487c
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  27 2.35 24
  28 6.11 61
  29 3.68 37
  39 4.34 43
  41 28.05 281
  43 7.69 77
  44 1.43 14
  53 4.81 48
  55 12.5 125
  57 4.34 43
  67 11.79 118
  68 12.42 124
  69 99.99 999
  70 6.2 62
  71 2.73 27
  73 2.41 24
  77 2.85 29
  79 5.29 53
  80 2.66 27
  81 60.14 601
  82 8.21 82
  83 4.29 43
  85 6.8 68
  91 3.33 33
  92 1.99 20
  93 17.1 171
  94 3.45 35
  95 16.93 169
  96 1.79 18
  97 2.87 29
  105 3.4 34
  107 11.09 111
  108 3.32 33
  109 10.87 109
  110 1.55 16
  111 1.57 16
  113 1.32 13
  119 3.43 34
  121 12.23 122
  122 4.26 43
  123 10.02 100
  124 2.04 20
  125 1.27 13
  127 2.08 21
  133 3.82 38
  134 2.04 20
  135 16.7 167
  136 15.16 152
  137 13.08 131
  138 1.72 17
  147 2.68 27
  149 4.32 43
  153 4.32 43
  161 3.66 37
  163 1.27 13
  177 2.43 24
  179 1.69 17
  181 1.53 15
  189 1.24 12
  193 1.91 19
  195 1.52 15
  204 1.97 20
  206 1.46 15
  207 3.26 33
  208 1.32 13
  221 1.33 13
  263 3.52 35
  281 0.53 5
  289 1.11 11
  332 2.18 22
  333 0.6 6
//