ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006985
RECORD_TITLE: ETHYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
CH$LINK: COMPTOX DTXSID3021980
CH$LINK: INCHIKEY SHZIWNPUGXLXDT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:31265

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$SPLASH: splash10-01tl-9000000000-b511103509087502c6df
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 2.8 28
  26 4 40
  27 47.13 471
  29 79.07 791
  30 1.95 20
  31 2.37 24
  39 19.35 194
  41 41.9 419
  42 23.86 239
  43 77.63 776
  44 2.36 24
  45 22.83 228
  53 2.43 24
  54 1.04 10
  55 20.66 207
  56 3.15 32
  57 2.9 29
  59 1.25 13
  60 46.17 462
  61 26.33 263
  69 7.62 76
  70 25.5 255
  71 26.83 268
  72 1.1 11
  73 28.16 282
  74 4.47 45
  83 1.09 11
  87 7.36 74
  88 99.99 999
  89 4.98 50
  97 1.71 17
  98 1.02 10
  99 53.52 535
  100 2.61 26
  101 25.86 259
  102 2.6 26
  115 7.83 78
  117 3.53 35
//