MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006848

2-HEXANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006848
RECORD_TITLE: 2-HEXANOL; 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$NAME: 2-HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCCCC(C)O
CH$IUPAC: InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY QNVRIHYSUZMSGM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30893088

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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$SPLASH: splash10-0002-9000000000-13cf4a6ddf1472a5e7af
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 1.29 13
  27 9.42 94
  28 1.67 17
  29 7.79 78
  31 2.55 26
  39 5.21 52
  41 13.58 136
  42 3.08 31
  43 11.41 114
  44 7.01 70
  45 99.99 999
  46 2.46 25
  55 3.63 36
  56 3.18 32
  57 3.07 31
  69 15.68 157
  84 3.74 37
  87 5.88 59
//