ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005376
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-053u-9200000000-57668ae97b483bb007fe
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  40 1.5 15
  41 34.8 348
  42 8.6 86
  43 9.5 95
  44 19 190
  45 5 50
  46 17.1 171
  51 0.12 1
  52 4.3 43
  53 3.8 38
  54 35.2 352
  55 4.98 50
  56 6.2 62
  57 99.99 999
  58 4.8 48
  59 0.25 3
  65 8.4 84
  66 14 140
  67 75.9 759
  68 8 80
  69 10.3 103
  70 1 10
  71 2.2 22
  73 0.22 2
  75 7.5 75
  77 12.3 123
  78 5.4 54
  79 8.88 89
  80 32.1 321
  81 97.6 976
  82 31.1 311
  83 0.57 6
  87 2.5 25
  89 2.4 24
  91 7.4 74
  92 0.26 3
  93 31.5 315
  94 31.1 311
  95 22.3 223
  96 2.64 26
  97 4.9 49
  103 1.6 16
  105 2.1 21
  107 2.13 21
  108 13.8 138
  109 9.2 92
  110 3.8 38
  111 0.1 1
  121 28.8 288
  122 9.8 98
  123 3.3 33
  133 0.16 2
  135 23.6 236
  136 6.6 66
  149 3.2 32
  163 0.69 7
  164 39.3 393
  165 5.8 58
  238 8 80
  239 1.3 13
//