ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009879
RECORD_TITLE: METHYL 5,9-DIMETHYL-4,8-DECADIENOATE(Z); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 5,9-DIMETHYL-4,8-DECADIENOATE(Z)
CH$NAME: FARNECIC ACID METHYL ESTER(Z)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₂O₂
CH$EXACT_MASS: 210.16198
CH$SMILES: COC(=O)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C13H22O2/c1-11(2)7-5-8-12(3)9-6-10-13(14)15-4/h7,9H,5-6,8,10H2,1-4H3/b12-9-
CH$LINK: INCHIKEY AVFLRLAFBQUJGG-XFXZXTDPSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-014i-9300000000-b846473c650bfa4f3bbe
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  27 3.5 35
  29 2.6 26
  39 5.9 59
  41 40.3 403
  42 2.2 22
  43 2 20
  54 6.5 65
  55 6.5 65
  59 5.6 56
  67 10 100
  68 7.6 76
  69 99.99 999
  70 5.8 58
  74 5.2 52
  77 2.2 22
  79 3.8 38
  80 1.8 18
  81 29.5 295
  82 18.2 182
  83 1.7 17
  87 1.8 18
  91 1.8 18
  93 6.5 65
  94 2 20
  95 5 50
  99 26.2 262
  107 3.4 34
  109 31.2 312
  110 5.8 58
  121 4 40
  122 1.5 15
  123 5 50
  135 7.4 74
  136 3.5 35
  137 2 20
  141 6.7 67
  142 1.8 18
  154 1.5 15
  162 1.6 16
  163 1.7 17
  167 28 280
  168 2.6 26
  178 1.8 18
  179 2 20
  210 8.3 83
//