ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001846
RECORD_TITLE: 1-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$NAME: 1-OCTANOL
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4l-9000000000-ed86628388cb3c552567
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 1.29 13
  27 24.14 241
  28 11.1 111
  29 36.77 368
  31 23.33 233
  39 16.01 160
  40 3.14 31
  41 81.58 816
  42 49.64 496
  43 70.15 702
  44 6.68 67
  45 4.18 42
  53 3.78 38
  54 4.91 49
  55 86.89 869
  56 99.99 999
  57 41.83 418
  58 2.25 23
  67 5.71 57
  68 16.01 160
  69 62.51 625
  70 59.53 595
  71 11.02 110
  73 2.01 20
  81 1.61 16
  82 7.4 74
  83 32.5 325
  84 43.93 439
  85 4.91 49
  97 2.82 28
  112 1.37 14
//