ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001329
RECORD_TITLE: 1-HEPTANOL; 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$NAME: 1-HEPTANOL
CH$NAME: HEPTYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆O
CH$EXACT_MASS: 116.12012
CH$SMILES: CCCCCCCO
CH$IUPAC: InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY BBMCTIGTTCKYKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021937

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$SPLASH: splash10-0006-9000000000-d5f79579e8c1fb0a32e5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.25 13
  18 3.9 39
  26 2.02 20
  27 38.97 390
  28 13.22 132
  29 52.89 529
  30 1.25 13
  31 43.22 432
  39 25.47 255
  40 4.8 48
  41 99.99 999
  42 55.53 555
  43 70.98 710
  44 6.61 66
  45 3.41 34
  53 2.64 26
  54 2.3 23
  55 27.77 278
  56 27.28 273
  57 8.35 84
  68 2.92 29
  69 11.27 113
  70 20.39 204
  71 1.32 13
  83 1.74 17
//