ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006854
RECORD_TITLE: 2-METHYL-3-HEXANOL; 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$NAME: 2-METHYL-3-HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16O
CH$EXACT_MASS: 116.12012
CH$SMILES: CCCC(O)C(C)C
CH$IUPAC: InChI=1S/C7H16O/c1-4-5-7(8)6(2)3/h6-8H,4-5H2,1-3H3
CH$LINK: INCHIKEY RGRUUTLDBCWYBL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90862295
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-05fu-9000000000-130b5041ec98581abbe7
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 1.74 17
  27 19.25 193
  28 3.01 30
  29 11.46 115
  31 13.73 137
  39 10.49 105
  40 1.13 11
  41 18.24 182
  42 2.3 23
  43 40.91 409
  44 6.39 64
  45 10.43 104
  53 1.77 18
  55 99.99 999
  56 6.63 66
  57 9.36 94
  59 1.9 19
  69 1.08 11
  71 1.25 13
  72 14.44 144
  73 95.72 957
  74 3.47 35
//
