ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005353
RECORD_TITLE: (Z,Z)-12,15-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$NAME: (Z,Z)-12,15-OCTADECADIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₄O₂
CH$EXACT_MASS: 294.25588
CH$SMILES: CCC([H])=C([H])CC([H])=C([H])CCCCCCCCCCC(=O)OC
CH$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/h4-5,7-8H,3,6,9-18H2,1-2H3/b5-4-,8-7-
CH$LINK: INCHIKEY SQXLGHNKHZNVRT-UTOQUPLUSA-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$SPLASH: splash10-00ls-9100000000-ac30d73d355829468fe5
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  40 8.83 88
  41 10.8 108
  43 8.01 80
  44 7.37 74
  45 5.73 57
  54 29.37 294
  55 26.44 264
  56 2.44 24
  57 6.44 64
  59 2.04 20
  60 1.6 16
  66 2.12 21
  67 96.61 966
  68 79.11 791
  69 29.63 296
  71 2.41 24
  73 1.35 14
  74 4.19 42
  79 16.68 167
  80 1.66 17
  81 79.26 793
  82 99.99 999
  83 26.96 270
  84 4.55 46
  85 1.86 19
  87 10.98 110
  93 7.72 77
  94 11.17 112
  95 70.74 707
  96 61.51 615
  97 14.85 149
  107 5.88 59
  108 6.03 60
  109 33.64 336
  110 23.03 230
  111 5.15 52
  115 3.05 31
  121 5.88 59
  122 3.69 37
  123 16.97 170
  124 10.31 103
  125 3.95 40
  129 1.96 20
  135 2.65 27
  136 2.68 27
  137 4.77 48
  138 2.83 28
  139 1.36 14
  150 6.63 66
  151 2.56 26
  152 1.72 17
  164 2.31 23
  165 2.34 23
  193 1.05 11
  195 1.65 17
  220 1.8 18
  234 1.43 14
  262 5.58 56
  263 8.59 86
  294 13.38 134
  295 2.05 21
//