ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005362
RECORD_TITLE: (Z)-6-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$NAME: (Z)-6-OCTADECENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₆O₂
CH$EXACT_MASS: 296.27153
CH$SMILES: CCCCCCCCCCCC([H])=C([H])CCCCC(=O)OC
CH$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/h13-14H,3-12,15-18H2,1-2H3/b14-13-
CH$LINK: INCHIKEY QRTVDKVXAFJVRU-YPKPFQOOSA-N

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00l7-9200000000-25b3ada4753ac2bcad99
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
  41 99.99 999
  42 15.49 155
  43 86.92 869
  45 4.77 48
  51 1.19 12
  53 11.77 118
  54 34.82 348
  55 85.89 859
  56 20.25 203
  57 42.01 420
  58 2.1 21
  59 27.24 272
  65 4.69 47
  66 2.95 30
  67 44.93 449
  68 36.58 366
  69 54.47 545
  70 15.74 157
  71 20.16 202
  73 4.87 49
  74 83.73 837
  75 11.29 113
  77 4.32 43
  79 17.47 175
  80 12.57 126
  81 46.57 466
  82 28.98 290
  83 40.71 407
  84 70.67 707
  85 14.33 143
  87 39.28 393
  88 2.71 27
  89 1.16 12
  91 3.95 40
  92 1.84 18
  93 5.5 55
  94 5.84 58
  95 32.94 329
  96 58.91 589
  97 47.43 474
  98 38.98 390
  99 5.73 57
  100 1.82 18
  101 9.44 94
  105 2.42 24
  107 2.44 24
  108 3.26 33
  109 16.99 170
  110 28.85 289
  111 25.08 251
  112 6.99 70
  113 6.43 64
  114 5.61 56
  115 7.03 70
  119 4.17 42
  120 1.55 16
  121 6.92 69
  122 2 20
  123 20.43 204
  124 11.34 113
  125 8.32 83
  126 2.14 21
  127 4.78 48
  128 5.74 57
  129 4.66 47
  130 1.06 11
  133 2.75 28
  134 3.54 35
  135 5.99 60
  136 1.32 13
  137 12.09 121
  138 8.11 81
  139 7.19 72
  140 2.13 21
  141 6.98 70
  142 2.31 23
  143 5.8 58
  147 2.15 22
  148 2.56 26
  149 1.72 17
  151 6.44 64
  152 6.49 65
  153 4.77 48
  155 1.75 18
  157 1.12 11
  161 1.16 12
  164 1.76 18
  165 4.84 48
  166 5.56 56
  169 2.47 25
  179 1.6 16
  180 15.43 154
  181 2.9 29
  183 1.81 18
  185 1.9 19
  193 1.9 19
  194 2.73 27
  207 1.18 12
  208 1.33 13
  220 6.13 61
  221 4 40
  222 15.69 157
  223 4.83 48
  235 3.11 31
  236 2.05 21
  246 2.18 22
  247 2.03 20
  253 1.03 10
  264 29.71 297
  265 13.31 133
  266 1.69 17
  296 4 40
  297 1.07 11
//