ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004263
RECORD_TITLE: ISOBUTYRIC ACID ISOPROPYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYRIC ACID ISOPROPYL ESTER
CH$NAME: ISOPROPYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CC(C)OC(=O)C(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3
CH$LINK: INCHIKEY WVRPFQGZHKZCEB-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-a4676182040cc3a8e9d5
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 1 10
  27 7.44 74
  28 3.98 40
  39 4.56 46
  40 1.04 10
  41 17.42 174
  42 10.27 103
  43 99.99 999
  44 3.52 35
  45 5.02 50
  59 3.4 34
  71 31.78 318
  72 1.04 10
  73 1.96 20
  88 1.61 16
  89 11.07 111
  115 1.38 14
//