MassBank Record: JP000041



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

ACCESSION: JP000041
RECORD_TITLE: ISOBUTYL BENZOATE; 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$NAME: ISOBUTYL BENZOATE CH$NAME: BENZOIC ACID ISOBUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: CC(C)COC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
AC$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: splash10-0a4i-8900000000-64acee983703b623e7c3 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 27 3.42 34 29 5.78 58 39 2.77 28 41 7.96 80 43 1.18 12 50 3.42 34 51 13.98 140 55 1.89 19 56 32.15 322 57 2.6 26 76 1.77 18 77 45.43 454 78 3.42 34 79 4.9 49 105 99.99 999 106 7.61 76 122 1.77 18 123 34.51 345 124 2.48 25 //