ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009880
RECORD_TITLE: METHYL 5,9-DIMETHYL-4,8-DECADIENOATE(E); 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$NAME: METHYL 5,9-DIMETHYL-4,8-DECADIENOATE(E)
CH$NAME: FARNECIC ACID METHYL ESTER(E)
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: CAS 19894-82-7
CH$LINK: INCHIKEY AVFLRLAFBQUJGG-FMIVXFBMSA-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$SPLASH: splash10-014i-9400000000-0426439591e5c16d2e31
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  27 4.5 45
  28 2.3 23
  29 3.2 32
  39 7 70
  40 3 30
  41 46.7 467
  42 4 40
  43 4.5 45
  51 1.2 12
  53 7.3 73
  54 1.8 18
  55 8.6 86
  56 1.2 12
  59 7.9 79
  65 2.6 26
  66 1.2 12
  67 13.6 136
  68 8 80
  69 99.99 999
  70 6.3 63
  74 5.3 53
  77 2.7 27
  79 4.4 44
  80 2.3 23
  81 46.3 463
  82 16.3 163
  83 2.3 23
  85 1.7 17
  87 3.6 36
  91 1.8 18
  93 6 60
  94 1.7 17
  95 3 30
  99 53.7 537
  100 4.7 47
  105 1.6 16
  107 4 40
  108 1.6 16
  109 35.5 355
  110 5.8 58
  111 3 30
  119 1.5 15
  121 4 40
  122 2 20
  123 7 70
  124 1 10
  125 1 10
  135 12.4 124
  136 3.5 35
  137 3.5 35
  140 2.8 28
  141 13.7 137
  142 3.7 37
  154 1.8 18
  161 2.3 23
  163 1.8 18
  166 2.7 27
  167 52.8 528
  168 5.8 58
  178 1.4 14
  179 2.4 24
  195 2.1 21
  210 3.4 34
  211 1.2 12
//