ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005529
RECORD_TITLE: 2,3:5,6-BIS(TRIMETHYLENE)PYRAN-4-ONE; 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$NAME: 2,3:5,6-BIS(TRIMETHYLENE)PYRAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O2
CH$EXACT_MASS: 176.08373
CH$SMILES: O=C(C2=1)C(C3)=C(CC3)OC(CCC2)1
CH$IUPAC: InChI=1S/C11H12O2/c12-11-7-3-1-5-9(7)13-10-6-2-4-8(10)11/h1-6H2
CH$LINK: INCHIKEY SYXQGSUZSKBHAC-UHFFFAOYSA-N
AC$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: splash10-004i-9700000000-3740ad9283f0f4f92ed8
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  26 3.5 35
  27 12 120
  28 5 50
  29 4 40
  38 3.5 35
  39 26 260
  40 11 110
  41 10 100
  42 2.5 25
  43 3.5 35
  50 2.5 25
  51 67.5 675
  52 5 50
  53 9.5 95
  54 5 50
  55 12 120
  60 2 20
  62 2 20
  63 6 60
  64 4 40
  65 23 230
  66 22.5 225
  67 4 40
  68 1.5 15
  69 1.5 15
  74 1.5 15
  75 1.5 15
  76 1.5 15
  77 4.5 45
  78 2 20
  79 4 40
  80 1.5 15
  81 3.5 35
  82 3.5 35
  83 1.5 15
  88 1.5 15
  89 2 20
  91 9.5 95
  92 4.5 45
  93 2 20
  94 2 20
  103 2 20
  104 1.5 15
  105 6 60
  106 1.5 15
  107 1.5 15
  108 1.5 15
  109 5 50
  110 2 20
  111 18 180
  112 2 20
  115 3.5 35
  116 2 20
  117 1.5 15
  119 1.5 15
  120 2 20
  121 1.5 15
  129 2.5 25
  130 1.5 15
  147 3.5 35
  148 2 20
  161 2 20
  174 3.5 35
  175 99.99 999
  176 57.5 575
  177 20 200
  178 3.5 35
//
