ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006857
RECORD_TITLE: 3-OCTANOL; 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$NAME: 3-OCTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O
CH$EXACT_MASS: 130.13577
CH$SMILES: CCCCCC(O)CC
CH$IUPAC: InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
CH$LINK: INCHIKEY NMRPBPVERJPACX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10862252

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$SPLASH: splash10-0a4i-9000000000-e465ef88acb28c76bbf2
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.03 10
  27 15.3 153
  28 2.73 27
  29 22.11 221
  31 21.58 216
  39 7.95 80
  40 1.21 12
  41 29.84 298
  42 4.64 46
  43 14.08 141
  44 6.83 68
  45 2.98 30
  53 1.64 16
  55 47.72 477
  56 5.76 58
  57 11.98 120
  58 9.64 96
  59 99.99 999
  60 3.18 32
  69 2.41 24
  70 2.31 23
  71 1.46 15
  83 51.1 511
  84 3.53 35
  100 1.01 10
  101 23 230
  102 1.34 13
  112 2.4 24
//