ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007964
RECORD_TITLE: 7-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$NAME: 7-TERT-BUTYL-3,3-DIMETHYL-1-INDANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀O
CH$EXACT_MASS: 216.15142
CH$SMILES: CC(C)(C)c(c2)c(C(=O)1)c(cc2)C(C)(C)C1
CH$IUPAC: InChI=1S/C15H20O/c1-14(2,3)10-7-6-8-11-13(10)12(16)9-15(11,4)5/h6-8H,9H2,1-5H3
CH$LINK: COMPTOX DTXSID40345967
CH$LINK: INCHIKEY GCHHIKFGXIVDIF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:608370

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$SPLASH: splash10-0udi-4390000000-90f251fd75f6ccb30d78
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  14 3.3 33
  15 5.7 57
  28 18.7 187
  29 0.52 5
  39 6.1 61
  41 9.5 95
  51 3.3 33
  57 0.36 4
  64 2.9 29
  65 2.6 26
  77 3.2 32
  79 0.74 7
  91 5.4 54
  93 2.7 27
  115 10 100
  117 0.36 4
  128 6.5 65
  129 4.1 41
  143 3.4 34
  145 0.32 3
  158 2.3 23
  159 6.4 64
  171 3.2 32
  173 0.38 4
  185 3 30
  186 6.2 62
  201 99.99 999
  202 1.57 16
  216 17 170
  217 2.9 29
//