ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002129
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

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

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052g-9000000000-5ed68fbbaa3fc418b8c9
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 3.03 30
  19 1.39 14
  27 12.64 126
  28 6.14 61
  29 18.84 188
  31 1.9 19
  39 9.23 92
  40 1.33 13
  41 32.43 324
  42 16.25 163
  43 70.16 702
  44 10.11 101
  45 99.99 999
  46 2.28 23
  53 2.09 21
  54 1.26 13
  55 23.01 230
  56 13.59 136
  57 12.39 124
  58 29.65 297
  59 2.47 25
  67 1.14 11
  69 18.58 186
  70 1.2 12
  71 3.48 35
  84 9.17 92
  85 6.76 68
  87 4.3 43
  100 3.2 32
  101 1.14 11
//