ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009887
RECORD_TITLE: METHYL 5-METHYL-8-OXO-4-DECENOATE; 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$NAME: METHYL 5-METHYL-8-OXO-4-DECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₃
CH$EXACT_MASS: 212.14124
CH$SMILES: CCC(=O)CCC(C)=CCCC(=O)OC
CH$IUPAC: InChI=1S/C12H20O3/c1-4-11(13)9-8-10(2)6-5-7-12(14)15-3/h6H,4-5,7-9H2,1-3H3/b10-6+
CH$LINK: INCHIKEY KQXMJPIJJDMVKD-UXBLZVDNSA-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$SPLASH: splash10-0a4i-9300000000-65ee1489ac305963af31
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  27 5.8 58
  29 30.5 305
  39 5.2 52
  41 14 140
  43 10 100
  45 2 20
  53 7.2 72
  55 15 150
  57 99.99 999
  58 5 50
  59 10.2 102
  65 1.2 12
  67 10.6 106
  68 1.7 17
  69 2.3 23
  72 5.2 52
  74 6.8 68
  77 2.2 22
  79 8 80
  80 7.2 72
  81 60.6 606
  82 10 100
  83 2.7 27
  85 2.2 22
  91 1 10
  93 2.2 22
  94 1.2 12
  95 25.2 252
  96 4.5 45
  97 3.6 36
  98 7.8 78
  99 15.5 155
  105 2 20
  107 1.2 12
  108 9.2 92
  109 16 160
  110 1.2 12
  113 2.2 22
  120 3 30
  121 6.2 62
  123 28.3 283
  124 10 100
  125 14.8 148
  151 4.4 44
  152 4.3 43
  155 4.8 48
  163 1.5 15
  165 1.5 15
  180 2.3 23
  181 8.5 85
  194 20.7 207
  195 1.5 15
  212 16 160
  213 1.2 12
//