ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007702
RECORD_TITLE: 1-OCTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1-OCTANOL
CH$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$LINK: CAS 111-87-5
CH$LINK: INCHIKEY KBPLFHHGFOOTCA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021940

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0a4l-9000000000-202f21207fb4ff7503db
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  40 5.4 54
  41 99.99 999
  42 59.8 598
  43 7.49 75
  44 7.1 71
  45 7 70
  51 1.1 11
  53 3.9 39
  54 0.44 4
  55 68.8 688
  56 74.4 744
  57 29.5 295
  58 0.18 2
  59 0.8 8
  65 0.5 5
  67 3.5 35
  68 1.05 11
  69 37.4 374
  70 35.8 358
  71 5.8 58
  72 0.04 0
  73 2.2 22
  79 0.5 5
  81 0.6 6
  82 0.41 4
  83 18.7 187
  84 21.8 218
  85 2.1 21
  87 0.03 0
  89 0.3 3
  91 0.2 2
  95 0.2 2
  97 0.16 2
  98 0.2 2
  99 0.2 2
  103 0.2 2
  106 0.02 0
  111 0.2 2
  112 0.6 6
  113 0.2 2
//