ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005359
RECORD_TITLE: (Z,Z,Z)-6,9,15-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$NAME: (Z,Z,Z)-6,9,15-OCTADECATRIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂O₂
CH$EXACT_MASS: 292.24023
CH$SMILES: CCC([H])=C([H])CCCCC([H])=C([H])CC([H])=C([H])CCCCC(=O)OC
CH$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/h4-5,10-11,13-14H,3,6-9,12,15-18H2,1-2H3/b5-4-,11-10-,14-13-
CH$LINK: INCHIKEY SWFJVJVXGIDQRY-WMWLCQRCSA-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$SPLASH: splash10-05nf-9200000000-f4616e4dfac647f6f9d8
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
  40 4.55 46
  41 99.99 999
  42 10.86 109
  43 11.97 120
  44 0.4 4
  45 4.09 41
  51 0.75 8
  52 0.55 6
  53 20.17 202
  54 16.5 165
  55 51.63 516
  56 4.05 41
  57 6.39 64
  59 21.86 219
  65 5.39 54
  66 8.51 85
  67 82.19 822
  68 15.62 156
  69 20.57 206
  71 1.94 19
  74 6.97 70
  76 0.31 3
  77 16.22 162
  78 5.86 59
  79 52.9 529
  80 28.54 285
  81 49.49 495
  82 22.78 228
  83 7.51 75
  84 0.59 6
  85 4.27 43
  87 8.89 89
  88 1.2 12
  90 0.29 3
  91 16 160
  92 6.15 62
  93 28.44 284
  94 21.34 213
  95 29.96 300
  96 9.22 92
  97 3.04 30
  98 1.04 10
  99 0.64 6
  101 1.4 14
  103 0.35 4
  104 0.85 9
  105 5.93 59
  106 4.46 45
  107 15.62 156
  108 10.89 109
  109 10.24 102
  110 7.49 75
  111 2.03 20
  115 0.44 4
  117 0.48 5
  118 0.37 4
  119 5.49 55
  120 3.75 38
  121 20.97 210
  122 9.41 94
  123 6.59 66
  124 3.36 34
  129 1.08 11
  131 1.75 18
  133 3.07 31
  134 1.35 14
  135 12.22 122
  136 8.32 83
  137 2.51 25
  138 0.57 6
  140 0.56 6
  145 0.39 4
  147 2.15 22
  148 0.81 8
  149 10.66 107
  150 6.63 66
  151 1.19 12
  154 1.12 11
  155 0.34 3
  161 1.54 15
  163 9.56 96
  164 3.75 38
  168 0.94 9
  173 0.52 5
  176 0.49 5
  177 2.53 25
  178 0.44 4
  191 0.44 4
  196 0.6 6
  210 2.52 25
  249 2.21 22
  250 0.44 4
  263 3.82 38
  264 0.55 6
  292 0.66 7
//