ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002559
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CC(C)COC(=O)C(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY RXGUIWHIADMCFC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6026612

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$SPLASH: splash10-0596-9000000000-fb563351fb63b4833e24
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 1.51 15
  26 1.11 11
  27 15.98 160
  28 3.71 37
  29 17.79 178
  31 1.74 17
  39 9.58 96
  40 1.99 20
  41 34.33 343
  42 6.48 65
  43 85.76 858
  44 2.73 27
  55 3.06 31
  56 53.21 532
  57 38.29 383
  58 1.69 17
  70 2.87 29
  71 99.99 999
  72 4.8 48
  73 3.37 34
  88 2.37 24
  89 28.88 289
  90 1.42 14
  101 7.78 78
//