ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006544
RECORD_TITLE: ETHYL 2-ETHYLHEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2-ETHYLHEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCC(CC)C(=O)OCC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY YXAGIRHBJJLWHW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40863070

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$SPLASH: splash10-0pxu-9400000000-8407f9bbddac2d7ace48
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 1.26 13
  26 1.55 16
  27 33.13 331
  29 63.75 638
  30 1.37 14
  31 1.92 19
  39 15.54 155
  41 52.46 525
  42 11.35 114
  43 37.13 371
  45 8.23 82
  53 3.97 40
  54 1.62 16
  55 29.92 299
  56 10.32 103
  57 99.99 999
  58 4.01 40
  59 1.99 20
  67 1.37 14
  68 1.01 10
  69 8.28 83
  70 8.77 88
  71 3.89 39
  73 37.65 377
  74 1.61 16
  83 2.13 21
  87 9.32 93
  88 18.9 189
  89 2.37 24
  97 1.62 16
  98 2.1 21
  99 11.13 111
  101 73.49 735
  102 4.96 50
  115 18.6 186
  116 96.88 969
  117 6.51 65
  127 15.79 158
  128 1.26 13
  129 11.01 110
  143 5.83 58
  144 13.61 136
  145 1.54 15
//