ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008221
RECORD_TITLE: BETA-IONONE; 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$NAME: BETA-IONONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O
CH$EXACT_MASS: 192.15142
CH$SMILES: CC(=O)C=CC(=C(C)1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
CH$LINK: INCHIKEY PSQYTAPXSHCGMF-BQYQJAHWSA-N
CH$LINK: COMPTOX DTXSID4021769

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$SPLASH: splash10-004l-4900000000-3169016f24891f9035d6
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  41 5.23 52
  43 64.43 644
  55 6.91 69
  67 3.43 34
  69 8.67 87
  71 5.23 52
  77 1.47 15
  79 3.18 32
  81 5.25 53
  91 5.72 57
  93 14.11 141
  94 3.12 31
  95 9.82 98
  96 18.71 187
  97 1.47 15
  105 7.21 72
  107 9.82 98
  108 0.83 8
  109 10.11 101
  110 3.43 34
  119 8.06 81
  121 8.06 81
  122 10.11 101
  123 27.44 274
  124 1.47 15
  131 1.12 11
  133 10.11 101
  135 20.86 209
  136 8.06 81
  147 1.47 15
  149 10.98 110
  159 6.36 64
  162 3.75 38
  177 99.99 999
  178 21.1 211
  192 12.14 121
//