ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009994
RECORD_TITLE: 2,3-DIMETHYLBUTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2,3-DIMETHYLBUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O
CH$EXACT_MASS: 102.10447
CH$SMILES: OCC(C)C(C)C
CH$IUPAC: InChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3
CH$LINK: COMPTOX DTXSID60941324
CH$LINK: INCHIKEY SXSWMAUXEHKFGX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:29656
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-006x-9000000000-537d56f26d526fe6977a
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 10.4 104
  28 8.6 86
  29 12.9 129
  31 1.67 17
  32 1.7 17
  39 8.4 84
  40 1.3 13
  41 3.25 33
  42 27.3 273
  43 99.99 999
  44 3.2 32
  45 1.22 12
  53 1.9 19
  55 12.5 125
  56 7.7 77
  57 0.47 5
  58 1.5 15
  59 5.8 58
  61 1.1 11
  69 2.86 29
  70 11.7 117
  71 55.8 558
  72 3.5 35
  84 2.03 20
  85 1.8 18
//
