ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005356
RECORD_TITLE: (Z,Z)-9,15-OCTADECADIENOIC 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$NAME: (Z,Z)-9,15-OCTADECADIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₄O₂
CH$EXACT_MASS: 294.25588
CH$SMILES: CCC([H])=C([H])CCCCC([H])=C([H])CCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,10-11H,3,6-9,12-18H2,1-2H3/b5-4-,11-10-
CH$LINK: INCHIKEY OTROKOXHZSGHEN-NKIGAPEHSA-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$SPLASH: splash10-015c-9100000000-be34042db473516c40f2
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  40 3.31 33
  41 90.23 902
  42 11.27 113
  43 18.8 188
  45 5.41 54
  51 1.69 17
  52 1.08 11
  53 12.75 128
  54 30.38 304
  55 80.75 808
  56 5.94 59
  57 6.03 60
  59 21.22 212
  60 1.04 10
  65 4.24 42
  66 6.93 69
  67 99.99 999
  68 33.29 333
  69 47.12 471
  70 3.46 35
  71 2 20
  73 4.47 45
  74 14.92 149
  77 4.01 40
  79 16.3 163
  80 11.19 112
  81 69.65 697
  82 78.58 786
  83 20.74 207
  84 3.19 32
  87 10.24 102
  91 2.34 23
  93 6.54 65
  94 6.02 60
  95 45.44 454
  96 38.19 382
  97 9.07 91
  98 3.36 34
  101 2.64 26
  105 1.15 12
  107 5.37 54
  108 4.07 41
  109 21.29 213
  110 26.79 268
  111 8.47 85
  115 2.64 26
  121 6.77 68
  122 3.56 36
  123 15.64 156
  124 14.01 140
  125 4.97 50
  127 1.91 19
  129 2.59 26
  135 4.73 47
  136 3.86 39
  137 8.21 82
  138 3.96 40
  139 2.05 21
  149 2.36 24
  150 4.44 44
  151 3.08 31
  152 1.08 11
  157 2.94 29
  163 2.48 25
  164 2.55 26
  178 2.66 27
  179 1.08 11
  192 1.59 16
  206 2.11 21
  238 1.4 14
  251 1.76 18
  252 1.2 12
  263 4.78 48
  294 4.66 47
  295 2.1 21
//