ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001655
RECORD_TITLE: ISOPROPYL ALCOHOL(1,1,1,3,3,3-D6); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYL ALCOHOL(1,1,1,3,3,3-D6)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₈O
CH$EXACT_MASS: 60.05751
CH$SMILES: [2H]C([2H])([2H])C([H])(O)C([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3
CH$LINK: INCHIKEY KFZMGEQAYNKOFK-WFGJKAKNSA-N
CH$LINK: COMPTOX DTXSID90480716

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0002-9000000000-a1c27780d39325f67c84
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  18 2.5 25
  20 3.22 32
  21 2.91 29
  28 1.38 14
  29 6.38 64
  30 4.85 49
  33 3.47 35
  42 1.89 19
  44 1.69 17
  45 5.11 51
  46 8.84 88
  47 1.74 17
  48 99.99 999
  49 8.32 83
  65 4.85 49
//