MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000282

2-HEXANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000282
RECORD_TITLE: 2-HEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 2-HEXANOL
CH$NAME: SEC-HEXYL ALCOHOL
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: COMPTOX DTXSID30893088
CH$LINK: INCHIKEY QNVRIHYSUZMSGM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12297

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AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0002-9000000000-d2359b7e811b8b064741
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 2.2 22
  19 1.7 17
  27 8.6 86
  29 0.49 5
  31 2.1 21
  39 6.8 68
  40 1.1 11
  41 1.6 16
  42 4.5 45
  43 18.3 183
  44 7.1 71
  45 99.99 999
  46 2.2 22
  55 1.8 18
  56 5.4 54
  57 0.51 5
  69 16.4 164
  84 5.6 56
  87 6.3 63
//