ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005661
RECORD_TITLE: 4-ACETYL-6-TERT-BUTYL-1,1-DIMETHYLINDANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 4-ACETYL-6-TERT-BUTYL-1,1-DIMETHYLINDANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H24O
CH$EXACT_MASS: 244.18272
CH$SMILES: CC(=O)c(c2)c(C1)c(cc(C(C)(C)C)2)C(C)(C)C1
CH$IUPAC: InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3
CH$LINK: INCHIKEY IKTHMQYJOWTSJO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9044536
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$SPLASH: splash10-0006-9380000000-3c2198909e50fd471cd4
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  29 1.08 11
  41 2.18 22
  43 99.99 999
  44 1.86 19
  55 1.02 10
  57 39.21 392
  58 1 10
  104 2.28 23
  105 1 10
  117 1.03 10
  129 1.03 10
  131 18.43 184
  143 1.04 10
  145 3.82 38
  171 4.18 42
  172 1.1 11
  173 18.51 185
  174 3.88 39
  185 1.01 10
  186 1 10
  187 5.07 51
  188 1.01 10
  201 1.96 20
  215 12.69 127
  229 64.32 643
  230 14.27 143
  244 37.81 378
  245 6.74 67
//
