ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002663
RECORD_TITLE: METHYL-9,12-OCTADECADIENOATE; 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$NAME: METHYL-9,12-OCTADECADIENOATE
CH$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$LINK: CAS 13038-47-6
CH$LINK: INCHIKEY WTTJVINHCBCLGX-ZDVGBALWSA-N
CH$LINK: COMPTOX DTXSID90880893

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$SPLASH: splash10-01qa-8920000000-1f86d7f4e3cf3a8132da
PK$NUM_PEAK: 143
PK$PEAK: m/z int. rel.int.
  53 1 10
  54 12.6 126
  55 10.4 104
  57 0.1 1
  59 1.7 17
  65 2.7 27
  66 4.5 45
  67 7.33 73
  68 36.9 369
  69 25.7 257
  70 2.1 21
  71 0.28 3
  74 9 90
  77 11.2 112
  78 3.5 35
  79 3.37 34
  80 27.7 277
  81 99.99 999
  82 62.4 624
  83 2.57 26
  84 5.4 54
  85 6 60
  86 1.8 18
  87 1.05 11
  88 2.8 28
  89 1.4 14
  91 15.1 151
  92 0.43 4
  93 22.4 224
  94 25.5 255
  95 98.4 984
  96 7.38 74
  97 24.7 247
  98 4.1 41
  99 1.4 14
  105 0.51 5
  106 4.6 46
  107 21.3 213
  108 18.9 189
  109 5.96 60
  110 47.5 475
  111 15.2 152
  112 2.4 24
  113 0.19 2
  115 8.6 86
  116 1 10
  117 3.7 37
  119 0.61 6
  120 7.4 74
  121 25.8 258
  122 23.5 235
  123 3.78 38
  124 32.3 323
  125 8 80
  127 2.2 22
  129 0.73 7
  131 6.1 61
  132 2.1 21
  133 8.6 86
  134 0.4 4
  135 24.6 246
  136 31.9 319
  137 24.7 247
  138 1.74 17
  139 8.2 82
  140 3.8 38
  141 6.4 64
  143 0.32 3
  144 1.1 11
  147 1.8 18
  148 1.7 17
  149 2.15 22
  150 35.5 355
  151 18.7 187
  152 14.2 142
  153 0.66 7
  154 5.4 54
  155 2.8 28
  157 2.5 25
  158 0.27 3
  159 9.7 97
  160 2 20
  161 3.9 39
  162 0.21 2
  163 16 160
  164 26.9 269
  165 13.9 139
  166 0.75 8
  167 4.4 44
  168 5.3 53
  169 3.2 32
  170 0.3 3
  173 4.5 45
  174 1.3 13
  175 2.1 21
  177 0.86 9
  178 19.6 196
  179 8.3 83
  180 3.7 37
  181 0.49 5
  182 4.6 46
  183 2.3 23
  187 4.7 47
  191 0.76 8
  192 6.1 61
  193 4.8 48
  194 1.8 18
  195 0.4 4
  196 4.3 43
  201 2 20
  204 3.6 36
  205 0.41 4
  206 3.7 37
  208 1.1 11
  209 3.9 39
  210 0.36 4
  214 3.9 39
  215 1.8 18
  218 1.7 17
  219 0.24 2
  220 11.6 116
  221 3.4 34
  222 1.7 17
  223 0.28 3
  224 3.4 34
  230 3.9 39
  234 4.5 45
  235 0.17 2
  237 2.1 21
  238 2.1 21
  244 2.2 22
  245 0.24 2
  247 1.6 16
  258 2.6 26
  261 1.9 19
  262 2.76 28
  263 34.7 347
  264 7 70
  265 1.9 19
  280 0.34 3
  286 2.2 22
  294 50.7 507
  295 11.9 119
//