ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005344
RECORD_TITLE: (Z,Z,Z)-6,9,12-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$NAME: (Z,Z,Z)-6,9,12-OCTADECATRIENOIC ACID METHYL ESTER
CH$NAME: GAMMA-METHYL LINOLENATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂O₂
CH$EXACT_MASS: 292.24023
CH$SMILES: CCCCCC([H])=C([H])CC([H])=C([H])CC([H])=C([H])CCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7-,11-10-,14-13-
CH$LINK: INCHIKEY JFRWATCOFCPIBM-JPFHKJGASA-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$SPLASH: splash10-00o3-9300000000-4b288b4234f2ab58d796
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
  40 2.71 27
  41 13.08 131
  42 3.79 38
  43 18.41 184
  44 2.5 25
  53 1.43 14
  54 16.11 161
  55 26.32 263
  56 2.11 21
  57 10.61 106
  59 8.58 86
  60 1.59 16
  65 1.63 16
  66 17.14 171
  67 92.38 924
  68 15.94 159
  69 21.54 215
  70 1.11 11
  71 9.34 93
  73 3.62 36
  74 12.48 125
  77 7.21 72
  78 16.12 161
  79 84.92 849
  80 99.99 999
  81 60.29 603
  82 17.25 173
  83 8.16 82
  84 5.76 58
  85 13.3 133
  87 23.91 239
  88 5.85 59
  91 24.36 244
  92 12 120
  93 62.86 629
  94 42.18 422
  95 37.27 373
  96 11.67 117
  97 9.99 100
  101 4.5 45
  105 14.93 149
  106 12.78 128
  107 26.59 266
  108 15.77 158
  109 5.66 57
  110 6.09 61
  111 3.04 30
  117 2.23 22
  118 5.01 50
  119 11.91 119
  120 20.34 203
  121 23.69 237
  122 5.51 55
  123 9.1 91
  124 1.1 11
  125 1.15 12
  129 2.54 25
  131 4.49 45
  133 9.02 90
  134 8.76 88
  135 11.73 117
  136 11.01 110
  137 7.93 79
  138 1.32 13
  144 1.14 11
  145 1.89 19
  147 4.43 44
  148 4.28 43
  149 12.33 123
  150 24.3 243
  151 3.11 31
  157 1.89 19
  161 4.92 49
  162 4.79 48
  163 15.12 151
  164 7.52 75
  171 2.53 25
  173 1.03 10
  175 8.06 81
  177 7.88 79
  189 2.52 25
  194 14.06 141
  195 1.6 16
  208 2.72 27
  221 1.03 10
  222 1.9 19
  243 1.57 16
  292 13.59 136
  293 1.17 12
//