ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005961
RECORD_TITLE: ISOBUTYL PROPIONATE; 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$NAME: ISOBUTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY FZXRXKLUIMKDEL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8060240

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$SPLASH: splash10-004i-9000000000-919e44e8bde570c9ba0e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  70 1.43 14
  71 14.45 145
  73 1.47 15
  74 9.64 96
  75 99.99 999
  76 3.04 30
  87 41.85 419
  88 2.96 30
  100 4.01 40
  101 1.27 13
  115 1.76 18
  129 1.02 10
  131 5.94 59
//