ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002557
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL ISOBUTYRATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-96a144d3d14f8c35a508
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 2 20
  27 10.74 107
  28 1.78 18
  31 1 10
  39 4.83 48
  41 15.81 158
  42 8.48 85
  43 99.99 999
  44 3.5 35
  45 3.54 35
  59 5.39 54
  71 31.27 313
  72 1.5 15
  73 1.67 17
  88 2 20
  89 13.38 134
  115 3.52 35
  130 0.58 6
//