ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001528
RECORD_TITLE: HEXYL ACETATE; 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$NAME: HEXYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-8bde2be982cc06c303c6
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 6.56 66
  27 10.01 100
  28 3.11 31
  29 9.45 95
  31 1.45 15
  39 6.69 67
  40 1.59 16
  41 20.08 201
  42 21.25 213
  43 99.99 999
  44 2.97 30
  53 1.1 11
  54 2.42 24
  55 26.57 266
  56 56.37 564
  57 3.87 39
  58 3.8 38
  61 29.67 297
  67 1.24 12
  69 17.8 178
  70 1.52 15
  71 1.17 12
  73 10.01 100
  82 1.1 11
  83 4.07 41
  84 35.88 359
  85 2.76 28
  87 1.38 14
//