MassBank Record: JP002558



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

ACCESSION: JP002558
RECORD_TITLE: N-BUTYL 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$NAME: N-BUTYL ISOBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16O2 CH$EXACT_MASS: 144.11503 CH$SMILES: CCCCOC(=O)C(C)C CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
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$SPLASH: splash10-059f-9000000000-9688cae9c61bb66ddb0c PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 15 1.92 19 26 1.95 20 27 24.83 248 28 8.32 83 29 32.3 323 31 2.56 26 39 11.45 115 40 2.43 24 41 49.77 498 42 9.37 94 43 99.99 999 44 3.52 35 45 1.25 13 55 8.54 85 56 56.04 560 57 45.49 455 58 2.03 20 59 1.12 11 70 1.5 15 71 90.19 902 72 4.67 47 73 4.43 44 88 4.17 42 89 83.3 833 90 4 40 101 6.54 65 //