ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002544
RECORD_TITLE: ETHYL BUTYRATE; 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$NAME: ETHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCC(=O)OCC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY OBNCKNCVKJNDBV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6040111

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00g3-9000000000-78bbe008aa184177c5ca
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  14 1.08 11
  15 5.16 52
  26 3.92 39
  27 36.35 364
  28 7.98 80
  29 62.86 629
  30 1.56 16
  31 2.14 21
  38 1.14 11
  39 10.83 108
  40 1.87 19
  41 25.58 256
  42 10.51 105
  43 90.45 905
  44 3.19 32
  45 19.23 192
  55 3.59 36
  60 22.4 224
  61 9.96 100
  70 9.02 90
  71 99.99 999
  72 4.91 49
  73 17.82 178
  88 56.98 570
  89 15.31 153
  101 7.18 72
  116 8 80
//