ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009811
RECORD_TITLE: 2,6,6-TRIMETHYL-3-ETHYLCARBONYL-5,6-DIHYDRO-4H-PYRAN; 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$NAME: 2,6,6-TRIMETHYL-3-ETHYLCARBONYL-5,6-DIHYDRO-4H-PYRAN
CH$NAME: 5-PROPIONYL-2,2,6-TRIMETHYL-3,4-DIHYDRO-2H-PYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18O2
CH$EXACT_MASS: 182.13068
CH$SMILES: CCC(=O)C(C1)=C(C)OC(C)(C)C1
CH$IUPAC: InChI=1S/C11H18O2/c1-5-10(12)9-6-7-11(3,4)13-8(9)2/h5-7H2,1-4H3
CH$LINK: INCHIKEY ZERLPEUSKXJNAS-UHFFFAOYSA-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$SPLASH: splash10-0pbd-9500000000-01d7e51cfb81713a56ac
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  27 9.7 97
  29 25.4 254
  39 8.4 84
  40 0.24 2
  41 18.6 186
  43 72.7 727
  44 2.3 23
  53 0.4 4
  55 34 340
  56 25.3 253
  57 49.3 493
  58 0.21 2
  67 5.1 51
  69 4.5 45
  71 2.5 25
  79 0.27 3
  81 3 30
  83 4.4 44
  85 4.5 45
  91 0.2 2
  93 3.2 32
  95 3.1 31
  97 59.9 599
  98 0.36 4
  107 5.8 58
  108 2.2 22
  109 5.7 57
  111 1.47 15
  121 3.2 32
  125 7.3 73
  126 3.2 32
  127 2.64 26
  128 2.5 25
  135 15.6 156
  136 1.8 18
  139 0.91 9
  140 2.1 21
  149 8.2 82
  153 99.99 999
  154 1.05 11
  167 3.8 38
  182 35.7 357
  183 6.6 66
//
