ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005240
RECORD_TITLE: 5-TERT-BUTYL-3,3-DIMETHYL-1-INDANONE; 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$NAME: 5-TERT-BUTYL-3,3-DIMETHYL-1-INDANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀O
CH$EXACT_MASS: 216.15142
CH$SMILES: CC(C)(C)c(c2)cc(c(c2)1)C(C)(C)CC(=O)1
CH$IUPAC: InChI=1S/C15H20O/c1-14(2,3)10-6-7-11-12(8-10)15(4,5)9-13(11)16/h6-8H,9H2,1-5H3
CH$LINK: INCHIKEY UAYMLJQAJQASDB-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$SPLASH: splash10-0udi-3290000000-61b2736b5cfc9aae3ab8
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  14 1.1 11
  15 6.2 62
  27 5.7 57
  29 0.64 6
  39 7 70
  41 11.8 118
  51 4.1 41
  57 0.68 7
  64 3.5 35
  65 3.3 33
  77 4 40
  79 0.66 7
  91 7.1 71
  93 3.4 34
  115 10.9 109
  117 0.43 4
  128 7 70
  129 4.7 47
  143 3.1 31
  145 0.51 5
  158 1.4 14
  159 10.7 107
  160 1.8 18
  173 0.54 5
  185 1.8 18
  187 3.4 34
  188 1 10
  201 99.99 999
  202 19 190
  216 20.3 203
  217 3.3 33
//