MassBank Record: JP011119



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

ACCESSION: JP011119
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SAWADA MTHE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV., THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA 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 CH$LINK: INCHIKEY SESFRYSPDFLNCH-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300 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-9720000000-f05c57dce7b414894a2e PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 27 1.8 18 29 1.3 13 38 1.2 12 39 6 60 40 2.1 21 41 1.4 14 50 6.2 62 51 17.1 171 52 2.3 23 63 2.8 28 65 10 100 74 1.7 17 75 1.3 13 76 2 20 77 36.5 365 78 4.2 42 79 7.5 75 89 4.4 44 90 6.2 62 91 43.1 431 92 3.2 32 105 99.99 999 106 9.7 97 107 7.2 72 108 2.2 22 122 8.7 87 165 1 10 167 5 50 194 4.8 48 212 35.8 358 213 5.3 53 //