ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005328
RECORD_TITLE: 2-METHYL-1-HEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHYL-1-HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16O
CH$EXACT_MASS: 116.12012
CH$SMILES: CCCCC(C)CO
CH$IUPAC: InChI=1S/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3
CH$LINK: INCHIKEY LCFKURIJYIJNRU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70977492
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-b337b824323d290d0e42
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 11.84 118
  28 3.36 34
  29 12.89 129
  31 10.56 106
  39 7.66 77
  40 1.29 13
  41 27.87 279
  42 8.24 82
  43 99.99 999
  44 3.37 34
  45 2.21 22
  53 1.62 16
  54 1.51 15
  55 15.33 153
  56 32.4 324
  57 17.42 174
  59 1.28 13
  68 1.62 16
  69 21.95 220
  70 12.89 129
  83 3.71 37
  84 11.26 113
  85 21.95 220
  86 1.39 14
  98 10.86 109
//
