MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009732
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009732
RECORD_TITLE: BENZOIC ACID BENZYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, 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
CH$LINK: COMPTOX
DTXSID8029153
AC$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
//