MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005903
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005903
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, 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$LINK: INCHIKEY
SESFRYSPDFLNCH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8029153
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-3930000000-fa4d81201ce0caa8539c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
65 1.3 13
77 6.05 61
78 1.08 11
79 3.24 32
89 1.3 13
90 5.4 54
91 30.67 307
92 2.59 26
105 99.99 999
106 8.86 89
107 7.13 71
167 5.18 52
168 1.08 11
194 5.83 58
195 1.08 11
212 41.68 417
213 6.7 67
//
system version 2.2.6-SNAPSHOT