ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005355
RECORD_TITLE: (Z)-9-OCTADECENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: (Z)-9-OCTADECENOIC ACID METHYL ESTER
CH$NAME: METHYL OLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₆O₂
CH$EXACT_MASS: 296.27153
CH$SMILES: CCCCCCCCC([H])=C([H])CCCCCCCC(=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-KHPPLWFESA-N
CH$LINK: COMPTOX DTXSID5025811

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000t-9200000000-bb9e92fec1001744a0bf
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  40 4.49 45
  41 22.9 229
  42 5.45 55
  43 45.66 457
  44 5.36 54
  54 13.87 139
  55 95.79 958
  56 15.04 150
  57 39.89 399
  58 3.97 40
  59 7.44 74
  67 16.11 161
  68 29.73 297
  69 94.82 948
  70 29.91 299
  71 13.9 139
  73 11.87 119
  74 99.99 999
  75 19.29 193
  79 3.41 34
  80 5.36 54
  81 37.9 379
  82 33.39 334
  83 75.57 756
  84 84.49 845
  85 17.86 179
  87 81.65 817
  88 3.95 40
  91 1.51 15
  94 4.83 48
  95 40.4 404
  96 67.21 672
  97 86.75 868
  98 71.71 717
  99 3.73 37
  101 12.76 128
  107 3.22 32
  109 20.69 207
  110 37.35 374
  111 32.92 329
  112 14.49 145
  113 5.6 56
  114 10.56 106
  115 15.04 150
  116 3.69 37
  120 3.4 34
  123 27.33 273
  124 12.19 122
  125 22.71 227
  126 3.95 40
  127 2.81 28
  128 5.15 52
  129 9.64 96
  133 2.97 30
  137 17.57 176
  138 7.65 77
  139 4.1 41
  140 2.07 21
  141 10.03 100
  149 5.05 51
  151 12.52 125
  152 19.1 191
  153 3.62 36
  155 4.49 45
  165 10.29 103
  167 2.61 26
  169 3.54 35
  176 1.66 17
  180 15.43 154
  181 10.51 105
  207 2.59 26
  208 2.79 28
  220 3.76 38
  221 5.19 52
  222 24.43 244
  223 2.68 27
  235 1.53 15
  236 4.61 46
  264 42.82 428
  265 22.42 224
  266 2.68 27
  267 1.43 14
  296 6.76 68
  297 1.15 12
//