ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005361
RECORD_TITLE: (Z,Z,Z,Z)-6,9,12,15-OCTADECATETRAENOIC 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$NAME: (Z,Z,Z,Z)-6,9,12,15-OCTADECATETRAENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₀O₂
CH$EXACT_MASS: 290.22458
CH$SMILES: CCC([H])=C([H])CC([H])=C([H])CC([H])=C([H])CC([H])=C([H])CCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-18H2,1-2H3/b5-4-,8-7-,11-10-,14-13-
CH$LINK: INCHIKEY BIRKCHKCDPCDEG-GJDCDIHCSA-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$SPLASH: splash10-054o-9300000000-d1c4f449e87d4021bc51
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  40 4 40
  41 72.69 727
  42 6.48 65
  43 8.81 88
  44 1.24 12
  45 6.33 63
  50 0.36 4
  51 4.58 46
  52 3.47 35
  53 15.15 152
  54 8.1 81
  55 33.16 332
  56 1.6 16
  57 0.44 4
  59 19.01 190
  63 1.8 18
  65 12.53 125
  66 16.24 162
  67 64.51 645
  68 8.66 87
  69 14.67 147
  70 1.75 18
  71 2.15 22
  73 0.96 10
  74 9.04 90
  77 30.49 305
  78 20.39 204
  79 99.99 999
  80 34.06 341
  81 20.35 204
  82 4.03 40
  83 0.67 7
  84 2.57 26
  85 2.22 22
  87 7.28 73
  89 0.57 6
  91 52.07 521
  92 9.34 93
  93 40.98 410
  94 15.24 152
  95 13.45 135
  96 0.74 7
  97 2.15 22
  98 1.13 11
  99 0.41 4
  101 0.73 7
  103 2.66 27
  104 3.05 31
  105 25.52 255
  106 11.64 116
  107 14.28 143
  108 28.08 281
  109 5.35 54
  111 0.48 5
  113 0.5 5
  115 5.13 51
  116 1.86 19
  117 7.52 75
  118 2.83 28
  119 18.23 182
  120 8.49 85
  121 9.93 99
  122 8.86 89
  123 2.99 30
  128 0.32 3
  129 1.63 16
  130 0.36 4
  131 6.35 64
  132 0.81 8
  133 9.31 93
  134 6.9 69
  135 6.25 63
  136 2.31 23
  137 0.29 3
  141 0.4 4
  145 4.5 45
  147 7.5 75
  148 5.16 52
  149 1.92 19
  150 0.71 7
  159 0.86 9
  161 10.83 108
  162 3.76 38
  173 1.24 12
  174 0.29 3
  175 3.81 38
  176 1.25 13
  183 0.36 4
  185 0.23 2
  187 0.3 3
  189 2.21 22
  194 5.51 55
  195 0.44 4
  201 0.49 5
  208 1.09 11
  210 0.57 6
  215 0.27 3
  221 4.06 41
  222 0.29 3
  233 0.74 7
  234 1.6 16
  236 0.51 5
  290 1 10
//