ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001308
RECORD_TITLE: ACETIC ACID HEXYL ESTER; 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$NAME: ACETIC ACID HEXYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-052f-9000000000-a501dc38f24dd902d772
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 3.69 37
  27 7.13 71
  28 2.77 28
  29 7.38 74
  31 1 10
  39 4.86 49
  40 1.11 11
  41 17.09 171
  42 18.99 190
  43 99.99 999
  44 2.77 28
  54 1.6 16
  55 23.6 236
  56 51.51 515
  57 3.63 36
  58 3.32 33
  61 22.13 221
  69 16.59 166
  70 1.17 12
  71 1.29 13
  73 8.97 90
  83 2.77 28
  84 18.44 184
  85 1.72 17
  101 1.23 12
//