MassBank Record: JP002559



 ISOBUTYL ISOBUTYRATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002559
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL ISOBUTYRATE CH$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
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$SPLASH: splash10-0596-9000000000-fb563351fb63b4833e24 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 15 1.51 15 26 1.11 11 27 15.98 160 28 3.71 37 29 17.79 178 31 1.74 17 39 9.58 96 40 1.99 20 41 34.33 343 42 6.48 65 43 85.76 858 44 2.73 27 55 3.06 31 56 53.21 532 57 38.29 383 58 1.69 17 70 2.87 29 71 99.99 999 72 4.8 48 73 3.37 34 88 2.37 24 89 28.88 289 90 1.42 14 101 7.78 78 //