ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005866
RECORD_TITLE: PINACOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PINACOL
CH$NAME: 2,3-DIMETHYL-2,3-BUTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O₂
CH$EXACT_MASS: 118.09938
CH$SMILES: CC(C)(O)C(C)(C)O
CH$IUPAC: InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3
CH$LINK: INCHIKEY IVDFJHOHABJVEH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3058793

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-9000000000-874aa51cd54649697601
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 2.98 30
  27 2.19 22
  28 2.98 30
  29 2.98 30
  31 10.54 105
  39 3.18 32
  41 9.34 93
  42 1.99 20
  43 15.11 151
  55 1.19 12
  57 11.33 113
  58 2.39 24
  59 99.99 999
  60 3.18 32
  83 1.79 18
  85 10.93 109
  101 1.19 12
  103 2.58 26
//