ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002189
RECORD_TITLE: CIS-9,CIS-12,CIS-15-OCTADECATRIENOIC ACIDMETHYL 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$NAME: CIS-9,CIS-12,CIS-15-OCTADECATRIENOIC ACIDMETHYL ESTER
CH$NAME: LINOLENIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂O₂
CH$EXACT_MASS: 292.24023
CH$SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
CH$LINK: INCHIKEY DVWSXZIHSUZZKJ-YSTUJMKBSA-N
CH$LINK: COMPTOX DTXSID5041560

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$SPLASH: splash10-0a6u-9400000000-66aefd28ec364557f7aa
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
  50 0.6 6
  51 1.8 18
  52 1.2 12
  53 0.94 9
  54 9.4 94
  55 38.9 389
  57 5.6 56
  62 0.12 1
  64 0.6 6
  65 5 50
  66 8.1 81
  67 6.66 67
  68 12.5 125
  69 15.7 157
  71 0.6 6
  77 1.76 18
  78 14.4 144
  79 99.99 999
  80 48.4 484
  81 4.33 43
  82 14.4 144
  83 7.5 75
  84 1.2 12
  85 0.12 1
  87 11.9 119
  91 25.1 251
  92 5.6 56
  93 4.9 49
  94 27.6 276
  95 50.3 503
  96 9.4 94
  97 0.69 7
  98 0.6 6
  99 3.1 31
  100 2.5 25
  101 0.5 5
  102 3.1 31
  103 3.7 37
  105 8.8 88
  106 0.25 3
  107 24.5 245
  108 37.7 377
  109 13.2 132
  110 0.18 2
  111 3.1 31
  114 0.6 6
  115 1.8 18
  116 0.31 3
  117 3.7 37
  118 2.5 25
  119 5 50
  120 0.25 3
  121 20.7 207
  122 13.2 132
  123 4.4 44
  124 0.06 1
  125 0.6 6
  128 0.6 6
  129 3.1 31
  131 0.37 4
  132 3.7 37
  133 4.4 44
  134 1.2 12
  135 1.5 15
  136 10.6 106
  137 3.1 31
  139 0.6 6
  141 0.25 3
  144 3.1 31
  145 1.2 12
  146 2.5 25
  147 0.31 3
  149 11.9 119
  150 5 50
  157 1.2 12
  158 0.18 2
  159 0.6 6
  160 1.2 12
  161 0.6 6
  162 0.12 1
  163 4.4 44
  164 5.6 56
  165 0.6 6
  169 0.06 1
  171 0.6 6
  172 0.6 6
  173 2.5 25
  174 0.25 3
  175 0.6 6
  176 2.5 25
  178 0.6 6
  179 0.06 1
  180 2.5 25
  184 3.1 31
  191 0.6 6
  192 0.12 1
  196 1.8 18
  197 0.6 6
  199 1.8 18
  201 0.12 1
  203 0.6 6
  204 2.5 25
  210 0.6 6
  215 0.25 3
  216 0.6 6
  218 1.2 12
  220 1.2 12
  222 0.18 2
  223 2.5 25
  224 1.2 12
  225 1.2 12
  232 0.25 3
  235 2.5 25
  236 4.4 44
  237 1.2 12
  238 0.12 1
  249 1.2 12
  250 1.2 12
  251 0.6 6
  253 0.12 1
  259 0.6 6
  261 0.6 6
  262 3.1 31
  263 0.25 3
  264 0.6 6
  267 1.2 12
  278 0.6 6
  290 0.06 1
  292 5 50
  293 0.6 6
//