ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005910
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05fu-9000000000-5808ba7a72e3f14794fd
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  29 5.62 56
  41 10.56 106
  42 2.02 20
  43 58.65 587
  44 2.02 20
  55 1.57 16
  56 55.73 557
  57 34.38 344
  58 1.57 16
  70 2.92 29
  71 99.99 999
  72 4.49 45
  73 2.92 29
  88 2.92 29
  89 31.01 310
  90 1.57 16
  101 8.31 83
//