MassBank Record: JP005651



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

ACCESSION: JP005651
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, KYOTO COLLEGE OF PHARMACY
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 CH$LINK: INCHIKEY SESFRYSPDFLNCH-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9810000000-e3b80444bd7ae9437590 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 27 1.21 12 29 1.01 10 39 5.46 55 41 1.22 12 50 3.72 37 51 14.79 148 52 1.04 10 63 2.8 28 65 12.08 121 77 28.64 286 78 3.18 32 79 4.06 41 89 3.24 32 90 5.52 55 91 47.29 473 92 3.82 38 105 99.99 999 106 9.85 99 107 7.22 72 122 1.04 10 152 1.01 10 165 1.01 10 167 3.86 39 194 5.81 58 195 1.06 11 212 24.32 243 213 4.78 48 //