ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006103
RECORD_TITLE: 3,3-DIMETHYL-2-BUTANOL; CI-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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000i-9000000000-1e80a0149c21aa4acde1
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  69 5.87 59
  84 1.1 11
  85 99.99 999
  86 9.97 100
  87 6.71 67
  101 2.32 23
  102 3.08 31
  103 0.34 3
//