ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006815
RECORD_TITLE: 2-ETHYLHEXYL 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$NAME: 2-ETHYLHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCC(CC)COC(C)=O
CH$IUPAC: InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3
CH$LINK: INCHIKEY WOYWLLHHWAMFCB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026694

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$SPLASH: splash10-0596-9000000000-dec4956ee2597328aa0d
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 3.15 32
  27 11.13 111
  28 1.54 15
  29 16.56 166
  31 1.03 10
  39 7.61 76
  41 26.81 268
  42 9.11 91
  43 99.99 999
  44 2.32 23
  53 2.13 21
  54 1.61 16
  55 26.91 269
  56 18.08 181
  57 37.37 374
  58 1.69 17
  61 5.49 55
  67 1.2 12
  68 1.17 12
  69 9.16 92
  70 58.2 582
  71 8.24 82
  72 1.18 12
  73 7.78 78
  74 12.12 121
  75 1.2 12
  82 1.94 19
  83 14.9 149
  84 7.95 80
  86 4.64 46
  97 1.19 12
  98 1.02 10
  111 1.25 13
  112 8.1 81
//