ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000735
RECORD_TITLE: 2,8-DIMETHYL-5-ISOPROPYL-4,6-DIOXA-1,8-NONADIENE; 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$NAME: 2,8-DIMETHYL-5-ISOPROPYL-4,6-DIOXA-1,8-NONADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CC(=C)COC(OCC(C)=C)C(C)C
CH$IUPAC: InChI=1S/C12H22O2/c1-9(2)7-13-12(11(5)6)14-8-10(3)4/h11-12H,1,3,7-8H2,2,4-6H3
CH$LINK: INCHIKEY RTUVALNOUGJLOR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60278243

AC$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-0a4i-9100000000-ddb59bdf7e718e38b98a
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  39 14 140
  40 6 60
  41 14 140
  42 7 70
  43 21 210
  44 5 50
  45 3 30
  53 8 80
  54 7 70
  55 99.99 999
  56 18 180
  57 14 140
  58 4 40
  67 8 80
  68 3 30
  69 8 80
  70 13 130
  71 31 310
  72 9 90
  73 6 60
  81 5 50
  83 5 50
  85 4 40
  97 4 40
  99 6 60
  109 24 240
  110 5 50
  111 5 50
  126 8 80
  127 9 90
  143 4 40
  155 12 120
  198 0.1 1
//