ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005682
RECORD_TITLE: 3,3-DIMETHYL-2-BUTANOL; 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$NAME: 3,3-DIMETHYL-2-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O
CH$EXACT_MASS: 102.10447
CH$SMILES: CC(O)C(C)(C)C
CH$IUPAC: InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3
CH$LINK: INCHIKEY DFOXKPDFWGNLJU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10861947
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$SPLASH: splash10-0a4i-9000000000-ce10ccb8e3fe4beb2a5b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 1.18 12
  29 9.42 94
  39 1.06 11
  41 34.99 350
  42 1.66 17
  43 9.66 97
  44 3.63 36
  45 67.56 676
  46 1.64 16
  47 1 10
  55 3.69 37
  56 58.96 590
  57 99.99 999
  58 4.71 47
  59 2.03 20
  69 29.46 295
  70 1.84 18
  71 2.38 24
  85 19.98 200
  86 1.6 16
  87 43.77 438
  88 2.41 24
  101 1.69 17
  102 3.73 37
//
