ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002423
RECORD_TITLE: (6S)-2,6-DIMETHYL-7-OCTENE-2,3-DIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (6S)-2,6-DIMETHYL-7-OCTENE-2,3-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: C=CC([H])(C)CCC(O)C(C)(C)O
CH$IUPAC: InChI=1S/C10H20O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,8-9,11-12H,1,6-7H2,2-4H3/t8-,9?/m1/s1
CH$LINK: INCHIKEY SKKRPDNROZIXRQ-VEDVMXKPSA-N
CH$LINK: COMPTOX DTXSID90446756

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 11 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0089-9200000000-481fc8bd3ca92fda8d23
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  55 6.6 66
  57 5.5 55
  59 11 110
  60 1.86 19
  68 7.9 79
  70 76.4 764
  71 11 110
  73 1.04 10
  81 99.99 999
  82 12.8 128
  84 4.8 48
  85 0.93 9
  93 7.6 76
  94 3.1 31
  96 52.7 527
  97 3.45 35
  102 1.7 17
  107 2.1 21
  110 9.3 93
  113 4.36 44
  114 30.9 309
  117 3.8 38
  121 2.4 24
  138 0.21 2
  139 6.6 66
  154 24.5 245
  155 1.7 17
//