MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005668

1-PENTANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005668
RECORD_TITLE: 1-PENTANOL; 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$NAME: 1-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O
CH$EXACT_MASS: 88.08882
CH$SMILES: CCCCCO
CH$IUPAC: InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
CH$LINK: INCHIKEY AMQJEAYHLZJPGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021741

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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$SPLASH: splash10-052f-9000000000-26fa66c5f2883093c25e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 7.96 80
  28 5.04 50
  29 32.2 322
  30 1.09 11
  31 37.44 374
  39 4.42 44
  40 1.59 16
  41 50.23 502
  42 99.99 999
  43 22.76 228
  44 2.68 27
  45 4.77 48
  53 1.24 12
  54 1.35 14
  55 74.38 744
  56 16.17 162
  57 22.97 230
  58 2.12 21
  59 1 10
  60 1.17 12
  69 8.07 81
  70 57.25 573
  71 9.23 92
  87 0.75 8
//