ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002662
RECORD_TITLE: METHYL-9-OCTADECENOATE; 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$NAME: METHYL-9-OCTADECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₆O₂
CH$EXACT_MASS: 296.27153
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+
CH$LINK: INCHIKEY QYDYPVFESGNLHU-ZHACJKMWSA-N
CH$LINK: COMPTOX DTXSID40883778

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$SPLASH: splash10-03ea-7930000000-17eb05bbccb341c02e68
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
  53 1 10
  54 7.3 73
  55 16.6 166
  57 0.54 5
  59 5.9 59
  67 27 270
  68 21.2 212
  69 6.03 60
  70 10.7 107
  71 7.7 77
  74 67.1 671
  75 0.14 1
  79 12.2 122
  80 9 90
  81 47.5 475
  82 3.28 33
  83 80 800
  84 62.5 625
  85 15 150
  87 6.62 66
  88 1.8 18
  91 5 50
  93 11.2 112
  94 1.14 11
  95 43.6 436
  96 85.9 859
  97 92.7 927
  98 7.88 79
  105 5.4 54
  106 2.8 28
  107 8.9 89
  108 0.91 9
  109 37.3 373
  110 58.7 587
  111 62 620
  112 2.24 22
  113 10.5 105
  115 9.9 99
  116 3.3 33
  119 1.03 10
  120 5.7 57
  121 16 160
  122 8 80
  123 4.84 48
  124 37.7 377
  125 37.5 375
  127 5.2 52
  128 1.19 12
  129 10.5 105
  130 3.5 35
  131 1.4 14
  133 1.03 10
  134 11 110
  135 13.8 138
  136 6.5 65
  137 3.57 36
  138 28.8 288
  139 24 240
  140 3.6 36
  141 2.32 23
  142 4.9 49
  143 13.8 138
  144 3.2 32
  146 4.38 44
  147 5.2 52
  148 9.7 97
  149 11.8 118
  150 0.6 6
  151 25.2 252
  152 28.7 287
  153 18.2 182
  154 0.27 3
  155 7.1 71
  156 2.8 28
  157 6.7 67
  158 2.73 27
  161 5.5 55
  162 5.3 53
  163 5.4 54
  164 0.52 5
  165 16.2 162
  166 23.3 233
  167 12.1 121
  168 0.29 3
  169 10 100
  170 3.7 37
  171 1.8 18
  172 0.1 1
  173 1.1 11
  175 5.7 57
  177 4.1 41
  178 0.29 3
  179 9.8 98
  180 44.4 444
  181 11.1 111
  183 0.63 6
  185 4.5 45
  187 5.8 58
  188 62 620
  189 1.05 11
  191 4.6 46
  193 7.4 74
  194 9.4 94
  195 0.37 4
  199 6 60
  200 2.9 29
  204 3.2 32
  207 0.63 6
  208 6.9 69
  209 3.1 31
  213 4.4 44
  214 2.62 26
  215 3.2 32
  220 18.4 184
  221 16.4 164
  222 5.18 52
  223 14 140
  235 10.7 107
  236 7.1 71
  246 0.81 8
  247 4.8 48
  253 2.6 26
  264 99.99 999
  265 59.5 595
  266 11.6 116
  267 3.6 36
  280 3.1 31
  296 1.8 18
  297 4.2 42
//