ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006451
RECORD_TITLE: 3,3-DIMETHYL-2-BUTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3,3-DIMETHYL-2-BUTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: CC(=O)C(C)(C)C
CH$IUPAC: InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
CH$LINK: INCHIKEY PJGSXYOJTGTZAV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021752
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4l-9000000000-1087c8231569414df9c4
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 5.15 52
  27 5.57 56
  28 1.45 15
  29 29.26 293
  38 1.34 13
  39 16.92 169
  40 1.07 11
  41 55.91 559
  42 4.74 47
  43 42.58 426
  51 1.29 13
  53 1.23 12
  55 3.59 36
  56 5.1 51
  57 99.99 999
  58 3.72 37
  69 1.72 17
  85 4.28 43
  100 27.6 276
  101 2.14 21
//
