MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005681

2-ETHYL-1-BUTANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005681
RECORD_TITLE: 2-ETHYL-1-BUTANOL; 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$NAME: 2-ETHYL-1-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCC(CC)CO
CH$IUPAC: InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY TZYRSLHNPKPEFV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2041416

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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$SPLASH: splash10-00dl-9000000000-d2aabe77e70d07b1ce7d
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 2.55 26
  29 9.14 91
  31 6.79 68
  39 1.66 17
  41 15.88 159
  42 11.01 110
  43 99.99 999
  44 3.39 34
  45 2.17 22
  53 1.19 12
  55 36.94 369
  56 17.72 177
  57 3.79 38
  59 1.78 18
  69 17.65 177
  70 73.52 735
  71 57.71 577
  72 3.4 34
  84 30.79 308
  85 9.89 99
  101 0.61 6
  102 0.34 3
//