ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006429
RECORD_TITLE: ETHYL OCTANOATE; 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$NAME: ETHYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY YYZUSRORWSJGET-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8051542

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$SPLASH: splash10-0553-9100000000-317ca99bd3ea06f6d867
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 1.35 14
  27 20.68 207
  29 39.48 395
  30 1.03 10
  31 1.49 15
  39 9.61 96
  41 33.24 332
  42 11.04 110
  43 23.82 238
  45 12.54 125
  53 2.03 20
  54 1.38 14
  55 22.48 225
  56 4.41 44
  57 35.04 350
  58 1.37 14
  59 1.32 13
  60 27.08 271
  61 20.38 204
  67 1.78 18
  69 7.15 72
  70 17.19 172
  71 1.41 14
  73 21.91 219
  74 2.71 27
  83 3.47 35
  84 3.51 35
  87 2.99 30
  88 99.99 999
  89 6.94 69
  97 2.4 24
  98 2.47 25
  101 33.62 336
  102 2.53 25
  109 1.18 12
  115 7.12 71
  127 23.91 239
  128 1.82 18
  129 7.2 72
  143 2.81 28
  145 1.38 14
  172 1.64 16
//