ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002731
RECORD_TITLE: METHYL 9-HEXADECENOATE; 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$NAME: METHYL 9-HEXADECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₂O₂
CH$EXACT_MASS: 268.24023
CH$SMILES: CCCCCCC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+
CH$LINK: INCHIKEY IZFGRAGOVZCUFB-CMDGGOBGSA-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$SPLASH: splash10-067m-9200000000-8744795f5ff5c5b33df4
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
  30 0.9 9
  31 5.6 56
  33 1.4 14
  37 0.07 1
  38 0.8 8
  39 13.4 134
  40 31.9 319
  41 8.27 83
  42 21.7 217
  43 59.4 594
  44 19.3 193
  45 6.37 64
  46 1.8 18
  47 0.8 8
  50 0.6 6
  51 0.11 1
  52 1.2 12
  53 11.1 111
  55 99.99 999
  56 2.6 26
  57 19.7 197
  58 1.8 18
  59 21.6 216
  60 0.16 2
  61 1.1 11
  63 0.7 7
  65 3 30
  66 0.28 3
  67 37.7 377
  68 22.8 228
  69 69.1 691
  70 1.45 15
  71 8.6 86
  72 1.5 15
  73 6.1 61
  74 7.06 71
  75 11.5 115
  76 1.2 12
  77 4 40
  78 0.16 2
  79 9.7 97
  80 5.4 54
  81 31.8 318
  82 1.92 19
  83 43.8 438
  84 35.9 359
  85 7.7 77
  86 0.08 1
  87 44.2 442
  88 4.5 45
  89 0.9 9
  91 0.3 3
  92 0.9 9
  93 4.7 47
  94 4.8 48
  95 2.2 22
  96 34.8 348
  97 36.5 365
  98 29.7 297
  99 0.93 9
  100 8.8 88
  101 15.2 152
  102 1.8 18
  103 0.06 1
  105 1.7 17
  106 0.7 7
  107 3.7 37
  108 0.33 3
  109 11.3 113
  110 19.4 194
  111 18.3 183
  112 0.69 7
  113 3.9 39
  114 5.6 56
  115 7.6 76
  116 0.16 2
  117 0.8 8
  119 3.3 33
  120 1.4 14
  121 0.41 4
  122 2.1 21
  123 13.5 135
  124 10.1 101
  125 0.88 9
  126 1.1 11
  127 3 30
  128 4.7 47
  129 0.41 4
  130 1.6 16
  131 0.7 7
  133 3.3 33
  134 0.24 2
  135 4 40
  136 2 20
  137 8 80
  138 0.88 9
  139 5.7 57
  140 1.4 14
  141 7.4 74
  142 0.16 2
  143 3.3 33
  144 0.6 6
  145 9.8 98
  146 0.06 1
  147 2.1 21
  148 1.7 17
  149 2.4 24
  150 0.09 1
  151 5.6 56
  152 15 150
  153 4.9 49
  154 0.07 1
  155 2.1 21
  157 1.5 15
  158 0.7 7
  161 0.15 2
  163 0.8 8
  165 3.4 34
  166 3.2 32
  167 0.15 2
  169 0.8 8
  171 1.1 11
  172 0.7 7
  173 0.7 7
  175 1 10
  179 2.4 24
  180 1.2 12
  181 0.09 1
  185 1.3 13
  186 0.7 7
  189 0.8 8
  192 0.46 5
  193 3.5 35
  194 15.4 154
  195 3 30
  199 0.07 1
  200 0.6 6
  207 2.2 22
  208 1.9 19
  218 0.18 2
  219 1.3 13
  221 0.7 7
  225 0.8 8
  236 2.3 23
  237 15.2 152
  238 2.4 24
  268 6.1 61
  269 0.13 1
  270 0.7 7
//