ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005360
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00nf-9200000000-d1553d9d354fa07a7d43
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  40 5.21 52
  41 97.99 980
  42 1.76 18
  43 16.34 163
  44 2.19 22
  45 6.15 62
  51 4.63 46
  52 1.34 13
  53 18.94 189
  54 21.7 217
  55 51.82 518
  56 4.98 50
  57 0.91 9
  59 18.48 185
  60 0.68 7
  65 14.95 150
  66 12.69 127
  67 99.99 999
  68 11.45 115
  69 13.72 137
  71 5 50
  73 1.82 18
  74 6.6 66
  75 0.83 8
  77 9 90
  78 2.96 30
  79 68.59 686
  80 27.93 279
  81 52.35 524
  82 28.74 287
  83 10.52 105
  85 6.05 61
  87 9.32 93
  88 1.93 19
  91 11.98 120
  92 4.7 47
  93 37.08 371
  94 17.77 178
  95 43.08 431
  96 14.81 148
  97 6.19 62
  99 3.37 34
  101 2.34 23
  105 6.27 63
  106 2.65 27
  107 15.77 158
  108 10.85 109
  109 20.12 201
  110 4.68 47
  111 2.38 24
  113 0.43 4
  115 5.33 53
  116 0.41 4
  117 1.94 19
  119 5.78 58
  120 3.29 33
  121 23.36 234
  122 12.06 121
  123 2.13 21
  125 1.61 16
  126 0.8 8
  131 2.74 27
  134 3.93 39
  135 11.37 114
  136 7.22 72
  137 2.64 26
  139 0.38 4
  145 0.67 7
  147 3.55 36
  148 1.69 17
  149 5.22 52
  150 8.8 88
  151 1.3 13
  154 0.59 6
  161 3.48 35
  162 0.63 6
  163 8.91 89
  164 7.51 75
  165 1.06 11
  173 1.5 15
  175 2.34 23
  176 0.48 5
  177 10.56 106
  178 3.94 39
  189 0.51 5
  191 2.5 25
  192 0.82 8
  196 0.8 8
  207 0.49 5
  208 0.37 4
  209 1.02 10
  210 6.38 64
  222 0.79 8
  223 0.43 4
  235 2.45 25
  249 2.7 27
  292 2.88 29
//