ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005349
RECORD_TITLE: (Z,Z)-9,12-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$NAME: (Z,Z)-9,12-OCTADECADIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₄O₂
CH$EXACT_MASS: 294.25588
CH$SMILES: CCCCCC([H])=C([H])CC([H])=C([H])CCCCCCCC(=O)OC
CH$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/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
CH$LINK: INCHIKEY WTTJVINHCBCLGX-NQLNTKRDSA-N
CH$LINK: COMPTOX DTXSID7020843

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$SPLASH: splash10-0159-9100000000-c55236eae15e103cc906
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  40 3.78 38
  41 72.5 725
  42 18.3 183
  43 29.71 297
  45 10.69 107
  53 12.88 129
  54 39.98 400
  55 68.79 688
  56 8.55 86
  57 4.65 47
  59 21.61 216
  65 4.77 48
  66 10.13 101
  67 99.99 999
  68 39.5 395
  69 33.9 339
  71 1.93 19
  73 8.95 90
  74 7.25 73
  77 13.99 140
  78 4 40
  79 28.57 286
  80 25.58 256
  81 96.03 960
  82 47.89 479
  83 12.43 124
  84 3.46 35
  87 11.88 119
  91 13.32 133
  93 7.47 75
  94 6.61 66
  95 50.94 509
  96 32.97 330
  97 15.94 159
  98 4.74 47
  105 1.08 11
  107 10.03 100
  108 8.21 82
  109 21.75 218
  110 10.68 107
  119 2.4 24
  120 1.71 17
  121 8.64 86
  123 10.45 105
  124 6.88 69
  129 2.47 25
  135 3.52 35
  136 9.48 95
  137 2.58 26
  138 3.37 34
  150 6.88 69
  151 2.8 28
  154 1.45 15
  163 2.39 24
  164 5.49 55
  177 2.86 29
  206 1.06 11
  262 4.22 42
  263 3.45 35
  264 2.34 23
  294 7.25 73
  295 0.92 9
//