ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001656
RECORD_TITLE: ISOPROPYL ALCOHOL(1,1,1,2,3,3,3-D7); 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$NAME: ISOPROPYL ALCOHOL(1,1,1,2,3,3,3-D7)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₈O
CH$EXACT_MASS: 60.05751
CH$SMILES: [2H]C([2H])([2H])C([2H])(O)C([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3,3D
CH$LINK: INCHIKEY KFZMGEQAYNKOFK-YYWVXINBSA-N
CH$LINK: COMPTOX DTXSID50480717

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$SPLASH: splash10-0002-9000000000-40a45591af6378500aeb
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  18 2.5 25
  21 3.72 37
  22 0.51 5
  28 1.93 19
  29 1.17 12
  30 11.66 117
  33 2.39 24
  42 2.09 21
  45 2.19 22
  46 8.66 87
  47 1.48 15
  48 1.68 17
  49 99.99 999
  50 7.74 77
  51 0.92 9
  65 2.19 22
//