MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006856

2-OCTANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006856
RECORD_TITLE: 2-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

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CH$NAME: 2-OCTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O
CH$EXACT_MASS: 130.13577
CH$SMILES: CCCCCCC(C)O
CH$IUPAC: InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
CH$LINK: INCHIKEY SJWFXCIHNDVPSH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0027014

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-9000000000-1d1bfd93bdf2afa1ced5
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 8.68 87
  28 1.52 15
  29 9.51 95
  31 1.7 17
  39 5.03 50
  41 14.43 144
  42 5.37 54
  43 15.2 152
  44 7.95 80
  45 99.99 999
  46 2.19 22
  53 1 10
  55 19.38 194
  56 6.45 65
  57 6.23 62
  69 5.62 56
  70 5.73 57
  71 1.5 15
  83 2.68 27
  84 5.38 54
  97 6.78 68
  112 3.1 31
  115 2.74 27
//