ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005918
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-911d66bc383c533aefa3
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  27 2.06 21
  41 6.19 62
  42 8.49 85
  43 99.99 999
  44 3.21 32
  45 4.13 41
  59 5.5 55
  71 38.3 383
  72 1.83 18
  73 1.83 18
  88 2.75 28
  89 17.89 179
  115 4.13 41
  130 0.09 1
//