MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001512
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001512
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9600000000-053d8df1e84bfa72c807
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
27 8.5 85
28 1.11 11
38 1.11 11
39 6.5 65
41 1.63 16
50 4.75 48
51 16.07 161
52 2.04 20
63 3.07 31
64 1.3 13
65 11.54 115
74 1.37 14
75 1.15 12
76 1.8 18
77 31.42 314
78 3.82 38
79 6.05 61
89 4.56 46
90 8.78 88
91 49.42 494
92 4.51 45
105 99.99 999
106 9.14 91
107 7.49 75
165 1.22 12
167 5.42 54
194 5.65 57
195 1.06 11
//
system version 2.2.8-SNAPSHOT