MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005670

3-PENTANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005670
RECORD_TITLE: 3-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$NAME: 3-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O
CH$EXACT_MASS: 88.08882
CH$SMILES: CCC(O)CC
CH$IUPAC: InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY AQIXEPGDORPWBJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8060400

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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$SPLASH: splash10-0a59-9000000000-0bacb798271cc7020df3
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 5.45 55
  28 2.74 27
  29 15.44 154
  30 2.12 21
  31 96.26 963
  32 1.21 12
  39 3.02 30
  41 48.9 489
  42 5.68 57
  43 12.51 125
  45 7.93 79
  55 7 70
  57 14.22 142
  58 26.58 266
  59 99.99 999
  60 11.02 110
  69 1.26 13
  70 1.07 11
  71 24.89 249
  72 1.38 14
  87 2.23 22
  88 0.33 3
//