MassBank Record: JP001302



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

ACCESSION: JP001302
RECORD_TITLE: ACETIC ACID BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ACETIC ACID BUTYL ESTER CH$NAME: BUTYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O2 CH$EXACT_MASS: 116.08373 CH$SMILES: CCCCOC(C)=O CH$IUPAC: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
AC$INSTRUMENT: HITACHI RMU-7M 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-e7000014bd02a2fabf76 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 15 3.78 38 27 5.04 50 28 3.09 31 29 6.68 67 31 1.32 13 39 2.9 29 41 14.49 145 42 2.52 25 43 99.99 999 44 2.52 25 55 7.06 71 56 39.89 399 57 3.21 32 58 1.83 18 61 12.92 129 71 1.39 14 73 14.74 147 87 1.26 13 //