ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006853
RECORD_TITLE: 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$NAME: HEPTANOL
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0596-9000000000-9bf66315002a7c811643
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.4 14
  26 1.94 19
  27 33.32 333
  28 7.3 73
  29 34.61 346
  30 1.05 11
  31 40.83 408
  39 19.99 200
  40 1.21 12
  41 79.91 799
  42 48.85 489
  43 70.52 705
  44 3.94 39
  45 3.39 34
  51 1.13 11
  53 3.85 39
  54 4.09 41
  55 72.5 725
  56 93.66 937
  57 23.64 236
  67 2.05 21
  68 14.05 141
  69 49.82 498
  70 99.99 999
  71 4.52 45
  73 1.96 20
  83 5.19 52
  98 3.23 32
//