ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002187
RECORD_TITLE: TRANS-9,TRANS-12-OCTADECADIENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-9,TRANS-12-OCTADECADIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₄O₂
CH$EXACT_MASS: 294.25588
CH$SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+
CH$LINK: INCHIKEY WTTJVINHCBCLGX-ZDVGBALWSA-N
CH$LINK: COMPTOX DTXSID90880893

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0159-9300000000-52967c3e5e37758bb81e
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  44 13.3 133
  51 4.4 44
  53 8.8 88
  54 3.55 36
  55 55.5 555
  58 2.2 22
  65 7.7 77
  66 0.77 8
  67 99.99 999
  68 41.1 411
  69 31.1 311
  70 0.33 3
  71 4.4 44
  73 6.6 66
  77 11.1 111
  78 0.22 2
  79 32.2 322
  80 15.5 155
  81 86.6 866
  82 5.44 54
  83 17.7 177
  84 3.3 33
  85 3.3 33
  87 0.44 4
  91 10 100
  93 14.4 144
  94 13.3 133
  95 6 60
  96 41.1 411
  97 12.2 122
  101 6.6 66
  104 0.33 3
  105 3.3 33
  106 4.4 44
  107 7.7 77
  108 1.11 11
  109 23.3 233
  110 18.8 188
  111 7.7 77
  112 0.44 4
  113 2.2 22
  115 4.4 44
  119 2.2 22
  120 0.66 7
  121 12.2 122
  122 4.4 44
  123 12.2 122
  124 0.77 8
  125 2.2 22
  128 2.2 22
  129 2.2 22
  131 0.22 2
  132 3.3 33
  134 4.4 44
  135 11.1 111
  136 1.33 13
  137 6.6 66
  138 2.2 22
  139 4.4 44
  143 0.22 2
  148 4.4 44
  149 8.8 88
  150 15.5 155
  151 0.44 4
  152 3.3 33
  155 2.2 22
  156 2.2 22
  160 0.33 3
  163 4.4 44
  164 10 100
  170 3.3 33
  173 0.66 7
  175 3.3 33
  177 2.2 22
  178 5.5 55
  180 0.33 3
  182 5.5 55
  183 2.2 22
  187 5.5 55
  194 0.22 2
  195 5.5 55
  196 2.2 22
  206 4.4 44
  210 0.55 6
  215 2.2 22
  217 3.3 33
  220 5.5 55
  221 0.55 6
  223 2.2 22
  224 2.2 22
  231 3.3 33
  233 0.33 3
  262 5.5 55
  263 6.6 66
  264 5.5 55
  294 1.22 12
  295 3.3 33
//