ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001530
RECORD_TITLE: 2-ETHYLHEXYL 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$NAME: 2-ETHYLHEXYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0596-9000000000-6e51d4eab674ef388f31
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 6.07 61
  27 11.22 112
  28 2.02 20
  29 16.38 164
  31 1.61 16
  39 7.73 77
  40 1.24 12
  41 32.66 327
  42 10.3 103
  43 99.99 999
  44 2.76 28
  53 2.44 24
  54 2.44 24
  55 37.44 374
  56 27.78 278
  57 52.26 523
  58 2.35 24
  61 9.2 92
  67 1.84 18
  68 2.16 22
  69 14.86 149
  70 93.52 935
  71 12.1 121
  72 1.79 18
  73 10.12 101
  74 17.3 173
  75 2.16 22
  82 4.14 41
  83 25.07 251
  84 14.26 143
  85 1.38 14
  86 6.21 62
  97 2.35 24
  98 2.44 24
  99 1.38 14
  111 2.99 30
  112 28.98 290
  113 2.99 30
//