MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005687

2-OCTANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005687
RECORD_TITLE: 2-OCTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-9000000000-919afe7cd5319aded426
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 1 10
  29 2.52 25
  41 6.03 60
  42 3.41 34
  43 9.7 97
  44 7.1 71
  45 99.99 999
  46 2.33 23
  55 18.98 190
  56 6.58 66
  57 6.3 63
  69 5.56 56
  70 6.54 65
  71 2.71 27
  82 1.1 11
  83 4.37 44
  84 7.94 79
  85 1.04 10
  97 9.54 95
  112 5.83 58
  113 1.48 15
  115 4.87 49
  129 0.56 6
  130 0.04 0
//