MassBank Record: JP007586



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

ACCESSION: JP007586
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAKEUCHI TDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., 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 CH$LINK: CAS 120-51-4 CH$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$SPLASH: splash10-0a4i-7920000000-e4f7251f775b85f6af09 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 50 2.91 29 51 10.22 102 63 2.01 20 65 8.22 82 77 25.93 259 79 4.41 44 90 7.42 74 91 44.55 446 105 99.99 999 106 8.62 86 165 1.01 10 167 5.01 50 194 6.82 68 195 1.11 11 212 23.83 238 213 4.1 41 //