ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006811
RECORD_TITLE: HEXYL ACETATE; 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$NAME: HEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
CH$LINK: INCHIKEY AOGQPLXWSUTHQB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022006

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$SPLASH: splash10-0006-9000000000-88601f99d038175f4279
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 4.65 47
  27 9.39 94
  28 2.85 29
  29 9.13 91
  31 1.17 12
  39 6.29 63
  41 17.91 179
  42 16.81 168
  43 99.99 999
  44 2.62 26
  54 1.39 14
  55 21.15 212
  56 40.47 405
  57 2.77 28
  58 2.59 26
  61 23.68 237
  69 12.48 125
  71 1.09 11
  73 7.89 79
  83 2.24 22
  84 21.34 213
  85 1.41 14
  101 1.07 11
//