MassBank Record: JP000308



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

ACCESSION: JP000308
RECORD_TITLE: ISOBUTYL BENZOATE; 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$NAME: ISOBUTYL BENZOATE CH$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$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-0a4i-8900000000-2a7bd0389fcec283ddef PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 27 5.7 57 28 1.4 14 29 6.2 62 39 0.55 6 41 9.9 99 42 1 10 43 2.2 22 50 0.55 6 51 18.5 185 52 1.4 14 55 1.8 18 56 3.02 30 57 3 30 73 1.5 15 74 1.2 12 75 0.13 1 76 2.7 27 77 45 450 78 3.7 37 79 0.42 4 105 99.99 999 106 8.3 83 122 2.7 27 123 5.11 51 124 4.1 41 //