ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002188
RECORD_TITLE: CIS-9,CIS-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$NAME: CIS-9,CIS-12-OCTADECADIENOIC ACID METHYL ESTER
CH$NAME: LINOLEIC 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-NQLNTKRDSA-N
CH$LINK: COMPTOX DTXSID7020843

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$SPLASH: splash10-014j-9300000000-729382f4e6ed1136cb48
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  51 2.2 22
  53 8.1 81
  54 35.9 359
  55 5.25 53
  59 6.2 62
  65 6.2 62
  66 6.6 66
  67 99.99 999
  68 41.1 411
  69 27.7 277
  70 2.2 22
  71 0.18 2
  73 1.8 18
  74 7.4 74
  77 9.2 92
  78 0.4 4
  79 30 300
  80 20.3 203
  81 20.3 203
  82 4.55 46
  83 19.2 192
  84 2.5 25
  85 3.7 37
  87 0.55 6
  91 7.7 77
  92 2.2 22
  93 12.5 125
  94 1.55 16
  95 48.1 481
  96 39.2 392
  97 13.3 133
  98 0.25 3
  99 2.2 22
  105 2.9 29
  106 1.8 18
  107 0.85 9
  108 9.2 92
  109 26.2 262
  110 18.8 188
  111 0.55 6
  115 2.5 25
  119 2.9 29
  121 11.4 114
  122 0.7 7
  123 11.4 114
  124 10 100
  125 2.5 25
  129 0.25 3
  131 1.8 18
  132 1.8 18
  133 2.9 29
  135 0.92 9
  136 11.1 111
  137 6.6 66
  138 5.9 59
  139 0.18 2
  141 2.2 22
  146 1.8 18
  148 1.8 18
  149 0.85 9
  150 9.6 96
  151 4.4 44
  152 2.9 29
  154 0.25 3
  161 1.8 18
  163 3.3 33
  164 7.7 77
  165 0.18 2
  171 1.8 18
  173 2.9 29
  177 1.8 18
  178 0.48 5
  182 2.2 22
  196 2.2 22
  206 1.8 18
  210 0.18 2
  221 1.8 18
  224 1.8 18
  262 6.2 62
  263 0.66 7
  264 2.2 22
  294 9.2 92
  295 2.5 25
//