ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005357
RECORD_TITLE: (Z,Z)-12,15-OCTADECADIENOIC 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$NAME: (Z,Z)-12,15-OCTADECADIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₄O₂
CH$EXACT_MASS: 294.25588
CH$SMILES: CCC([H])=C([H])CC([H])=C([H])CCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8H,3,6,9-18H2,1-2H3/b5-4-,8-7-
CH$LINK: INCHIKEY SQXLGHNKHZNVRT-UTOQUPLUSA-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$SPLASH: splash10-0159-9100000000-791da97eec38c1b73101
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  40 1.13 11
  41 65.82 658
  42 6.38 64
  43 20.58 206
  45 2.95 30
  51 1.47 15
  53 11.19 112
  54 26.85 269
  55 66.97 670
  56 4.47 45
  57 5.35 54
  59 17.42 174
  65 6.49 65
  66 5.91 59
  67 99.99 999
  68 52.82 528
  69 24.15 242
  70 2.59 26
  71 1.92 19
  73 4.13 41
  74 16.88 169
  75 1.59 16
  77 8.4 84
  78 2.32 23
  79 21.51 215
  80 11.16 112
  81 57.8 578
  82 48.07 481
  83 15.91 159
  84 4.49 45
  85 1.9 19
  87 8.72 87
  91 4.71 47
  93 8.49 85
  94 6.19 62
  95 48.38 484
  96 35.69 357
  97 12.94 129
  105 1.12 11
  107 4.65 47
  108 6.61 66
  109 18.58 186
  110 11.67 117
  111 3.78 38
  121 4.93 49
  122 4.58 46
  123 6.95 70
  124 5.18 52
  125 3.42 34
  129 2.27 23
  133 1.65 17
  135 4.64 46
  136 3.28 33
  137 3.55 36
  138 3.93 39
  143 1.92 19
  149 3.23 32
  150 4.07 41
  151 2.55 26
  152 2.67 27
  153 1.36 14
  163 2.79 28
  164 4.02 40
  165 1.64 16
  166 1.49 15
  177 1.76 18
  178 2.16 22
  179 1.72 17
  192 1.67 17
  220 1.78 18
  262 3.41 34
  263 4.75 48
  294 8.5 85
  295 1.85 19
//