ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005173
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05fr-9000000000-5fb8b496797aab2351b2
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  28 1.63 16
  29 1.13 11
  41 4.75 48
  42 5.03 50
  43 45.02 450
  44 1.08 11
  55 19.43 194
  56 24.86 249
  57 41.72 417
  58 1.76 18
  61 8.47 85
  68 1.81 18
  69 10.32 103
  70 99.99 999
  71 12.68 127
  72 1.45 15
  73 10.01 100
  74 18.34 183
  75 2.49 25
  82 4.94 49
  83 29.08 291
  84 15.07 151
  85 1.4 14
  86 7.56 76
  97 2.67 27
  98 2.67 27
  99 1.26 13
  111 3.35 34
  112 35.06 351
  113 3.31 33
//