MassBank Record: JP001512



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

ACCESSION: JP001512
RECORD_TITLE: BENZYL 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$NAME: BENZYL BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H12O2 CH$EXACT_MASS: 212.08373 CH$SMILES: O=C(OCc(c2)cccc2)c(c1)cccc1 CH$IUPAC: InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
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$SPLASH: splash10-0a4i-9600000000-053d8df1e84bfa72c807 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 27 8.5 85 28 1.11 11 38 1.11 11 39 6.5 65 41 1.63 16 50 4.75 48 51 16.07 161 52 2.04 20 63 3.07 31 64 1.3 13 65 11.54 115 74 1.37 14 75 1.15 12 76 1.8 18 77 31.42 314 78 3.82 38 79 6.05 61 89 4.56 46 90 8.78 88 91 49.42 494 92 4.51 45 105 99.99 999 106 9.14 91 107 7.49 75 165 1.22 12 167 5.42 54 194 5.65 57 195 1.06 11 //