MassBank Record: JP009732



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

ACCESSION: JP009732
RECORD_TITLE: BENZOIC ACID BENZYL ESTER; 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$NAME: BENZOIC ACID BENZYL ESTER CH$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$SPLASH: splash10-0a4i-4920000000-a552e18b70960ed092be PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 65 2.03 20 77 8.86 89 78 1.21 12 79 3.59 36 89 1.8 18 90 5.14 51 91 35.08 351 92 2.57 26 105 99.99 999 106 8.74 87 107 6.82 68 123 1.1 11 167 5.42 54 178 1.15 12 194 7.12 71 195 1.06 11 212 29.8 298 213 4.54 45 //