ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005351
RECORD_TITLE: (Z)-15-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$NAME: (Z)-15-OCTADECENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₆O₂
CH$EXACT_MASS: 296.27153
CH$SMILES: CCC([H])=C([H])CCCCCCCCCCCCCC(=O)OC
CH$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/h4-5H,3,6-18H2,1-2H3/b5-4-
CH$LINK: INCHIKEY NQEFHAHNEYBAAD-PLNGDYQASA-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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05u2-9200000000-0a84d99c577264b73a46
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  41 34.19 342
  42 3.45 35
  43 16.1 161
  44 10.35 104
  54 2.79 28
  55 67.09 671
  56 36.14 361
  57 25.54 255
  59 8.71 87
  60 6.87 69
  67 11.38 114
  68 19.85 199
  69 90.53 905
  70 15.28 153
  74 99.99 999
  75 18.56 186
  80 5.38 54
  81 23.56 236
  82 26.94 269
  83 83.95 840
  84 55.68 557
  85 4.05 41
  87 70.68 707
  93 2.5 25
  94 8.87 89
  95 22.32 223
  96 48.75 488
  97 77.08 771
  98 35.33 353
  99 3.13 31
  101 8.83 88
  108 1.15 12
  109 12.46 125
  110 27.11 271
  111 24.39 244
  112 4.73 47
  114 2.54 25
  115 5.26 53
  119 1.86 19
  121 6.69 67
  124 10.15 102
  125 13.76 138
  128 12.17 122
  133 4.59 46
  134 2.99 30
  137 6.28 63
  138 12.43 124
  141 5.1 51
  143 6.44 64
  147 3.1 31
  151 2.2 22
  152 10.57 106
  162 2.29 23
  163 3.05 31
  165 4.01 40
  166 6.03 60
  167 3.09 31
  180 5.97 60
  185 2.08 21
  207 2.75 28
  220 1.42 14
  222 10.77 108
  264 35.1 351
  265 19.87 199
  296 2.62 26
//