ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002664
RECORD_TITLE: METHYL-9,12,15-OCTADECATRIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL-9,12,15-OCTADECATRIENOATE
CH$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-JSIPCRQOSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0a7m-9710000000-a711aabccb84e2c5bca5
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
  53 1.7 17
  54 2.6 26
  55 5.1 51
  59 2.2 22
  65 3.2 32
  66 4.8 48
  67 39.5 395
  68 0.98 10
  69 11.1 111
  74 7.7 77
  77 15 150
  78 1.35 14
  79 99.99 999
  80 48.3 483
  81 48.9 489
  82 1.31 13
  83 9.1 91
  85 4.1 41
  87 15.8 158
  90 0.16 2
  91 31 310
  92 8.3 83
  93 75.6 756
  94 3.93 39
  95 94.4 944
  96 17.6 176
  97 10.6 106
  98 0.21 2
  104 1.3 13
  105 17.3 173
  106 7.7 77
  107 4.59 46
  108 88.1 881
  109 31.4 314
  110 6.8 68
  111 0.57 6
  113 1 10
  115 2.2 22
  116 1.7 17
  117 0.48 5
  118 1.4 14
  119 11.5 115
  120 6.4 64
  121 4.5 45
  122 29.8 298
  123 13.2 132
  124 2.9 29
  125 0.4 4
  129 4.8 48
  131 7.7 77
  133 9.4 94
  134 0.46 5
  135 37 370
  136 27.7 277
  137 8.1 81
  138 0.21 2
  139 1.8 18
  141 3.4 34
  143 3.5 35
  144 0.1 1
  146 20.1 201
  147 7.5 75
  148 3.1 31
  149 3.22 32
  150 15.8 158
  151 4.1 41
  154 1.3 13
  155 0.16 2
  157 2.5 25
  158 17.7 177
  159 2.4 24
  161 0.56 6
  162 3.5 35
  163 14.6 146
  164 9.3 93
  165 0.23 2
  167 1.7 17
  168 1.6 16
  170 1.2 12
  171 0.24 2
  173 11.1 111
  174 2.8 28
  175 6 60
  176 0.19 2
  177 4.7 47
  178 5.1 51
  179 2 20
  181 0.25 3
  182 1.5 15
  185 2.2 22
  186 1.2 12
  191 1.15 12
  192 3.5 35
  193 1.4 14
  202 1.5 15
  203 0.15 2
  204 2.6 26
  205 1.9 19
  206 1.6 16
  207 0.17 2
  208 1.3 13
  210 1.5 15
  213 1.2 12
  217 0.31 3
  218 1.6 16
  221 1.8 18
  222 1.8 18
  223 0.61 6
  224 2.5 25
  231 1.7 17
  232 1.2 12
  235 2 20
  236 1.86 19
  237 3.9 39
  238 1.8 18
  243 1.3 13
  249 0.35 4
  250 2.2 22
  259 2.1 21
  261 15.3 153
  262 0.34 3
  263 6.4 64
  264 1.6 16
  270 1.9 19
  280 1.5 15
  288 12.8 128
  290 2.3 23
  292 26.2 262
  293 0.58 6
//