ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005377
RECORD_TITLE: (E,E)-8,10-DODECADIENYL PROPIONATE; 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$NAME: (E,E)-8,10-DODECADIENYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₂
CH$EXACT_MASS: 238.19328
CH$SMILES: CCC(=O)OCCCCCCCC([H])=C([H])C([H])=C([H])C
CH$IUPAC: InChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3,5-7H,4,8-14H2,1-2H3/b5-3+,7-6+
CH$LINK: INCHIKEY VBAWYVHXKMJINV-TWTPFVCWSA-N

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-02al-9400000000-877c13a1fa4e01d15b11
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  43 1.7 17
  44 5 50
  45 3 30
  46 0.72 7
  54 3.8 38
  55 11.5 115
  56 2.1 21
  57 3.7 37
  58 2.8 28
  59 1.7 17
  66 9.4 94
  67 5.51 55
  68 99.99 999
  69 9.8 98
  70 1.3 13
  71 0.29 3
  72 1.9 19
  73 1.8 18
  75 8.2 82
  78 0.34 3
  79 48.5 485
  80 39.1 391
  81 78.1 781
  82 5.67 57
  83 8.8 88
  85 1.1 11
  86 1.1 11
  87 0.34 3
  88 1.4 14
  89 5 50
  91 1.7 17
  92 0.22 2
  93 37.6 376
  94 47.9 479
  95 31 310
  96 5.66 57
  97 9.3 93
  98 1.4 14
  101 1.3 13
  102 0.12 1
  103 2.4 24
  105 1 10
  107 31.9 319
  108 2.62 26
  109 13.9 139
  110 7.7 77
  111 1.7 17
  121 5.54 55
  122 19 190
  123 5.8 58
  131 1.1 11
  133 0.38 4
  135 46 460
  136 12.8 128
  137 1.9 19
  147 0.12 1
  149 5.8 58
  163 12.3 123
  164 79.7 797
  165 1.06 11
  181 2.1 21
  237 1.6 16
  238 25.7 257
  239 4.2 42
//