ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000285
RECORD_TITLE: 2-OCTANOL; 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$NAME: 2-OCTANOL
CH$NAME: SEC-OCTYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O
CH$EXACT_MASS: 130.13577
CH$SMILES: CCCCCCC(C)O
CH$IUPAC: InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
CH$LINK: INCHIKEY SJWFXCIHNDVPSH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0027014

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$SPLASH: splash10-0002-9000000000-4ce732faf408608e7afe
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.1 11
  19 1.3 13
  27 8.3 83
  28 0.19 2
  29 7.9 79
  31 1.9 19
  39 4.7 47
  41 1.46 15
  42 5 50
  43 11.8 118
  44 7.4 74
  45 99.99 999
  46 2.3 23
  55 19.9 199
  56 6.7 67
  57 0.52 5
  58 1.6 16
  69 5.3 53
  70 5.7 57
  71 0.14 1
  82 1.1 11
  83 3.4 34
  84 5.8 58
  97 0.69 7
  112 4.4 44
  115 2.7 27
//