ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000284
RECORD_TITLE: 1-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$NAME: 1-OCTANOL
CH$NAME: OCTYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O
CH$EXACT_MASS: 130.13577
CH$SMILES: CCCCCCCCO
CH$IUPAC: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY KBPLFHHGFOOTCA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021940

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$SPLASH: splash10-0a4l-9000000000-526bd5ff898735941865
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 1.7 17
  19 1.2 12
  26 1.4 14
  27 2.9 29
  28 7.2 72
  29 41.3 413
  30 1.1 11
  31 2.97 30
  39 18.7 187
  40 3.8 38
  41 88.9 889
  42 5.5 55
  43 71.6 716
  44 2.7 27
  45 4.1 41
  53 0.45 5
  54 5.3 53
  55 81.8 818
  56 99.99 999
  57 3.75 38
  58 1.6 16
  67 4.6 46
  68 17.2 172
  69 5.63 56
  70 59.7 597
  71 10 100
  72 2.3 23
  82 0.97 10
  83 37.3 373
  84 49.8 498
  85 4.3 43
  97 0.33 3
  112 5.4 54
//