ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007968
RECORD_TITLE: DIMETHYL 4,4-DIMETHYLHEPTANE-1,7-DIOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL 4,4-DIMETHYLHEPTANE-1,7-DIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₄
CH$EXACT_MASS: 216.13616
CH$SMILES: COC(=O)CCC(C)(C)CCC(=O)OC
CH$IUPAC: InChI=1S/C11H20O4/c1-11(2,7-5-9(12)14-3)8-6-10(13)15-4/h5-8H2,1-4H3
CH$LINK: INCHIKEY FGULTYTXAJHZMS-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-056r-6900000000-80d5786b73fc36536db5
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 14 140
  27 6.9 69
  29 7.8 78
  41 2.6 26
  43 12 120
  55 33 330
  59 16 160
  69 8.21 82
  70 7.6 76
  81 13 130
  87 15 150
  97 6.71 67
  98 6.1 61
  109 16 160
  110 1.7 17
  129 99.99 999
  130 14 140
  137 18 180
  141 14 140
  153 1.8 18
  154 2.3 23
  160 2.9 29
  170 18 180
  185 2.6 26
  186 3.2 32
  200 3.2 32
//