ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001131
RECORD_TITLE: DIMETHYL 4-METHYL-3-HEPTENEDIOATE; 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$NAME: DIMETHYL 4-METHYL-3-HEPTENEDIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O₄
CH$EXACT_MASS: 200.10486
CH$SMILES: COC(=O)CCC(C)=CCC(=O)OC
CH$IUPAC: InChI=1S/C10H16O4/c1-8(4-6-9(11)13-2)5-7-10(12)14-3/h4H,5-7H2,1-3H3/b8-4+
CH$LINK: INCHIKEY WDXUKHTUMXKOSS-XBXARRHUSA-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$SPLASH: splash10-003u-9200000000-2353c461f044f62ee4af
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  26 4 40
  27 34 340
  28 29 290
  29 15 150
  30 2 20
  31 5 50
  32 6 60
  33 2 20
  38 2 20
  39 32 320
  40 9 90
  41 42 420
  42 8 80
  43 36 360
  44 2 20
  45 9 90
  50 3 30
  51 7 70
  52 5 50
  53 29 290
  54 6 60
  55 22 220
  56 2 20
  57 9 90
  58 2 20
  59 40 400
  60 2 20
  63 3 30
  65 7 70
  66 5 50
  67 36 360
  68 11 110
  69 5 50
  70 1 10
  71 3 30
  72 1 10
  73 1 10
  74 5 50
  75 1 10
  77 5 50
  78 3 30
  79 17 170
  80 18 180
  81 99.99 999
  93 2 20
  94 2 20
  95 13 130
  96 2 20
  97 4 40
  98 32 320
  99 22 220
  100 2 20
  107 2 20
  108 25 250
  109 29 290
  110 4 40
  111 3 30
  112 3 30
  113 1 10
  115 3 30
  123 1 10
  125 7 70
  126 2 20
  127 3 30
  128 1 10
  130 1 10
  135 1 10
  136 18 180
  137 16 160
  138 3 30
  139 2 20
  140 17 170
  141 16 160
  142 2 20
  143 1 10
  168 23 230
  169 5 50
  170 1 10
  200 2 20
  201 1 10
//