MassBank Record: JP002553



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

ACCESSION: JP002553
RECORD_TITLE: BENZYL BUTYRATE; 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$NAME: BENZYL BUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: CCCC(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
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$SPLASH: splash10-052f-9400000000-4eefa0ad170d4001c1c0 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 15 1.04 10 27 10.9 109 28 1.2 12 29 1.3 13 38 1.3 13 39 11.88 119 40 1.17 12 41 11.47 115 42 1.33 13 43 38.45 385 44 1.25 13 50 2.65 27 51 8.12 81 52 2.43 24 55 1.78 18 63 4.06 41 64 1.36 14 65 15.03 150 71 36.3 363 72 1.76 18 77 9.61 96 78 2.6 26 79 11.86 119 89 5.85 59 90 19.85 199 91 99.99 999 92 8.68 87 105 3.01 30 107 9.43 94 108 98.15 982 109 8.43 84 118 1.1 11 178 30.37 304 179 3.83 38 //