MassBank Record: JP002556



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

ACCESSION: JP002556
RECORD_TITLE: N-PROPYL 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$NAME: N-PROPYL ISOBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O2 CH$EXACT_MASS: 130.09938 CH$SMILES: CCCOC(=O)C(C)C CH$IUPAC: InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3
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$SPLASH: splash10-0006-9000000000-769fd7405d012dac89a1 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 15 1.67 17 26 1.4 14 27 18.25 183 28 3.18 32 29 2.8 28 31 2.85 29 39 7.21 72 40 1.55 16 41 23.04 230 42 13.66 137 43 99.99 999 44 3.33 33 45 1.3 13 55 1 10 57 1.32 13 59 4.13 41 71 55.76 558 72 2.72 27 73 3.1 31 88 2.12 21 89 46.9 469 90 2.34 23 101 3.77 38 //