ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005327
RECORD_TITLE: HEPTYL ALCOHOL; 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$NAME: HEPTYL ALCOHOL
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0596-9000000000-7ad1437199575e596cd7
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.88 19
  26 1.57 16
  27 24.29 243
  28 7.05 71
  29 30.2 302
  31 28.68 287
  39 15.04 150
  40 2.98 30
  41 65.6 656
  42 47.81 478
  43 69.27 693
  44 2.51 25
  45 3.6 36
  53 3.29 33
  54 5.64 56
  55 63.65 637
  56 93.26 933
  57 22.73 227
  67 1.73 17
  68 14.73 147
  69 51.5 515
  70 99.99 999
  71 6.26 63
  73 2.04 20
  83 7.99 80
  85 1.09 11
  97 1.09 11
  98 11.59 116
//