ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005346
RECORD_TITLE: (Z,Z,Z)-6,12,15-OCTADECATRIENOIC 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$NAME: (Z,Z,Z)-6,12,15-OCTADECATRIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂O₂
CH$EXACT_MASS: 292.24023
CH$SMILES: CCC([H])=C([H])CC([H])=C([H])CCCCC([H])=C([H])CCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,13-14H,3,6,9-12,15-18H2,1-2H3/b5-4-,8-7-,14-13-
CH$LINK: INCHIKEY NTHHALPEFAAFAP-RBIKCNJLSA-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$SPLASH: splash10-00lr-9400000000-6a1c37309ee183201b7a
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  40 3.66 37
  41 20.75 208
  43 6.64 66
  44 1.71 17
  45 3.08 31
  53 3.64 36
  54 13.57 136
  55 28.7 287
  59 8.59 86
  65 1.29 13
  66 4.01 40
  67 99.99 999
  68 32.92 329
  69 22.79 228
  70 4.72 47
  71 4.03 40
  73 4 40
  74 13.64 136
  75 1.26 13
  77 1.2 12
  78 7.53 75
  79 58.92 589
  80 44.83 448
  81 75.97 760
  82 51.51 515
  83 16.4 164
  84 3.48 35
  85 4.97 50
  87 12.73 127
  91 13.18 132
  93 37.75 378
  94 48.19 482
  95 66.2 662
  96 31.84 318
  97 11.26 113
  101 2.48 25
  105 6.13 61
  106 9.28 93
  107 39.33 393
  108 19.67 197
  109 24.11 241
  110 7.3 73
  111 5.67 57
  115 3.83 38
  116 3.08 31
  119 7.16 72
  120 6.45 65
  121 43.66 437
  122 21.41 214
  123 10.42 104
  124 3.06 31
  129 4.61 46
  130 1.74 17
  131 3.23 32
  133 8.07 81
  134 5.46 55
  135 24.43 244
  136 19.79 198
  137 6.41 64
  139 1.23 12
  147 11.39 114
  149 19.27 193
  150 8.24 82
  159 1.97 20
  161 4.82 48
  162 4.63 46
  163 20.02 200
  164 11.35 114
  165 4.41 44
  175 1.46 15
  177 19.09 191
  178 12.38 124
  189 1.45 15
  191 6.46 65
  195 3.34 33
  203 1.05 11
  206 1.27 13
  207 1.46 15
  210 7.13 71
  221 3.95 40
  235 7.27 73
  237 0.68 7
  243 2.34 23
  249 9.55 96
  292 2.35 24
//