MassBank Record: JP005411



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

ACCESSION: JP005411
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
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 RMU-7M 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: splash10-0a4l-9810000000-7d82df2148f364364d37 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 27 2.06 21 31 6.71 67 39 3.87 39 45 3.35 34 50 2.65 27 51 10.13 101 63 1.87 19 65 9.23 92 77 32.9 329 78 2.58 26 79 5.48 55 89 4.52 45 90 7.16 72 91 43.81 438 92 3.48 35 105 99.99 999 106 8.39 84 107 6.26 63 167 5.74 57 168 1.23 12 194 10.32 103 195 1.67 17 212 22.06 221 213 3.48 35 //