ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004300
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$NAME: 2-ETHYLHEXYL ACETATE
CH$NAME: ACETIC ACID 2-ETHYLHEXYL ESTER
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0596-9000000000-27a87134740ded1dc819
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 3.06 31
  27 8.34 83
  28 3.06 31
  29 13.75 138
  31 1.3 13
  39 5.34 53
  41 28.93 289
  42 9.97 100
  43 99.99 999
  44 3.78 38
  53 1.76 18
  54 1.82 18
  55 36.22 362
  56 21.5 215
  57 49.19 492
  58 2.87 29
  61 5.8 58
  67 1.95 20
  68 1.89 19
  69 12.25 123
  70 72.31 723
  71 11.47 115
  72 2.61 26
  73 9.25 93
  74 13.29 133
  75 1.82 18
  82 4.56 46
  83 20.07 201
  84 12.31 123
  86 5.28 53
  97 2.08 21
  98 1.56 16
  111 1.5 15
  112 3.78 38
  113 2.08 21
//