ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001130
RECORD_TITLE: METHYL 4-METHYL-3-DECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 4-METHYL-3-DECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCCCC(C)=CCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O2/c1-4-5-6-7-8-11(2)9-10-12(13)14-3/h9H,4-8,10H2,1-3H3/b11-9+
CH$LINK: INCHIKEY LKPVXFWQTFXGMA-PKNBQFBNSA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-016u-9100000000-eeb6b48b6344283504f5
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  26 3 30
  27 5 50
  28 61 610
  29 49 490
  30 2 20
  31 2 20
  32 14 140
  33 1 10
  37 1 10
  38 2 20
  39 34 340
  40 10 100
  41 92 920
  42 14 140
  43 44 440
  44 2 20
  45 4 40
  50 4 40
  51 7 70
  52 6 60
  53 28 280
  54 6 60
  55 98 980
  56 9 90
  57 11 110
  58 1 10
  59 29 290
  60 1 10
  61 1 10
  62 1 10
  63 2 20
  65 6 60
  66 4 40
  67 40 400
  68 73 730
  69 99.99 999
  70 9 90
  71 5 50
  72 2 20
  73 6 60
  74 21 210
  75 3 30
  76 1 10
  77 7 70
  78 9 90
  79 9 90
  80 3 30
  81 43 430
  82 14 140
  83 28 280
  84 3 30
  85 17 170
  86 5 50
  87 8 80
  88 2 20
  89 1 10
  91 2 20
  92 1 10
  93 2 20
  94 1 10
  95 19 190
  96 38 380
  97 12 120
  98 5 50
  99 12 120
  100 1 10
  101 1 10
  105 1 10
  107 1 10
  108 1 10
  109 13 130
  110 17 170
  111 6 60
  112 1 10
  113 3 30
  114 2 20
  115 6 60
  116 1 10
  121 1 10
  122 2 20
  123 3 30
  124 18 180
  125 6 60
  126 1 10
  127 4 40
  128 24 240
  129 4 40
  130 1 10
  133 1 10
  137 2 20
  138 4 40
  139 7 70
  140 1 10
  141 5 50
  142 2 20
  143 1 10
  148 1 10
  151 1 10
  155 2 20
  164 1 10
  166 3 30
  198 7 70
  199 2 20
//