ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006855
RECORD_TITLE: 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$NAME: OCTANOL
CH$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$LINK: INCHIKEY KBPLFHHGFOOTCA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021940

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$SPLASH: splash10-052f-9000000000-d1965ae83320e5d704c6
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.39 14
  18 1.2 12
  26 1.68 17
  27 34.94 349
  28 4.16 42
  29 44.22 442
  30 1.37 14
  31 44.49 445
  39 23.92 239
  40 3.74 37
  41 93.01 930
  42 58.64 586
  43 72.35 724
  44 3.63 36
  45 3.73 37
  51 1.08 11
  53 4.78 48
  54 4.43 44
  55 85.52 855
  56 99.99 999
  57 36.89 369
  58 1.7 17
  67 3.99 40
  68 17.2 172
  69 56.94 569
  70 65.34 653
  71 6.37 64
  73 2.33 23
  82 6.47 65
  83 37.07 371
  84 53.74 537
  85 2.75 28
  97 2.26 23
  112 3.2 32
//