ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002555
RECORD_TITLE: ETHYL ISOBUTYRATE; 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$NAME: ETHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
CH$LINK: INCHIKEY WDAXFOBOLVPGLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047728

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$SPLASH: splash10-0006-9000000000-f3988eecc5f86a2f81e5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 2.53 25
  26 2.33 23
  27 20.91 209
  28 4.31 43
  29 45.77 458
  30 1.07 11
  31 1.22 12
  39 6.71 67
  40 1.36 14
  41 21.23 212
  42 14.08 141
  43 99.99 999
  44 3.36 34
  45 10.01 100
  55 1.38 14
  57 1.28 13
  70 1.47 15
  71 43.41 434
  72 2.08 21
  73 3.49 35
  88 9.03 90
  89 6.12 61
  101 2.18 22
  116 15.89 159
  117 1.2 12
//