ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006817
RECORD_TITLE: 3-OCTYL 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$NAME: 3-OCTYL ACETATE
CH$NAME: 1-ETHYLHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCC(CC)OC(C)=O
CH$IUPAC: InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
CH$LINK: INCHIKEY STZUZYMKSMSTOU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30863463

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$SPLASH: splash10-0006-9100000000-e3f1be8935925204bdc7
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 1.51 15
  18 1.14 11
  27 6.55 66
  29 8.61 86
  39 3.01 30
  41 11.21 112
  42 2.96 30
  43 99.99 999
  44 2.55 26
  55 8.64 86
  56 6.34 63
  57 5.38 54
  58 2.51 25
  59 2.13 21
  61 1.67 17
  69 2.8 28
  70 6.19 62
  71 1.98 20
  73 1.26 13
  83 6.67 67
  84 1.86 19
  101 13.6 136
  112 5.4 54
  143 2.66 27
//