ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005972
RECORD_TITLE: ISOBUTYL ISOBUTYRATE; CI-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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-00di-9000000000-074030ed9e891a78b12d
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  70 3.36 34
  71 99.99 999
  73 3.66 37
  74 4.84 48
  87 1.75 18
  88 2.27 23
  89 47.22 472
  90 1.99 20
  101 4.11 41
  145 0.73 7
//