MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007700

1-HEXANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007700
RECORD_TITLE: 1-HEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: 1-HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCCCCCO
CH$IUPAC: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
CH$LINK: CAS 111-27-3
CH$LINK: INCHIKEY ZSIAUFGUXNUGDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021931

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AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0a4l-9000000000-65cf94afbc05ce616b62
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  40 5.5 55
  41 70.4 704
  42 61.5 615
  43 8.34 83
  44 7.1 71
  45 4.6 46
  51 1.2 12
  53 0.28 3
  54 3 30
  55 53.5 535
  56 99.99 999
  57 0.98 10
  58 0.5 5
  59 0.5 5
  65 0.3 3
  67 0.11 1
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  69 23.6 236
  70 2.3 23
  71 0.16 2
  72 0.3 3
  73 1.1 11
  79 0.2 2
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//