ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000281
RECORD_TITLE: 1-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

CH$NAME: 1-HEXANOL
CH$NAME: HEXYL ALCOHOL
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: INCHIKEY ZSIAUFGUXNUGDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021931

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9000000000-029ae838da9e13a0e457
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 1.8 18
  19 1.1 11
  26 1.6 16
  27 2.22 22
  28 5.3 53
  29 23.9 239
  31 29 290
  39 1.4 14
  40 2.9 29
  41 45.4 454
  42 43.4 434
  43 5.94 59
  44 2.1 21
  45 3.2 32
  53 2.1 21
  54 0.27 3
  55 48.9 489
  56 99.99 999
  57 6.7 67
  67 0.1 1
  69 28 280
  70 3.3 33
  71 1.6 16
  73 0.14 1
  83 1.5 15
  84 12.9 129
  85 1.4 14
//