MassBank Record: JP001304



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

ACCESSION: JP001304
RECORD_TITLE: ACETIC ACID SEC-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$NAME: ACETIC ACID SEC-BUTYL ESTER CH$NAME: SEC-BUTYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O2 CH$EXACT_MASS: 116.08373 CH$SMILES: CCC(C)OC(C)=O CH$IUPAC: InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
AC$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: splash10-0006-9000000000-6b5b933f04a6138fca4a PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 15 3.04 30 27 3.65 37 28 2.17 22 29 7.31 73 39 2.37 24 41 11.64 116 42 1.83 18 43 99.99 999 44 2.44 24 45 2.84 28 55 2.64 26 56 19.62 196 57 5.95 60 61 4.19 42 72 1 10 73 4.26 43 87 14.75 148 101 2.57 26 //