MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006275
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006275
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-056r-9300000000-b15752c1190b0242b115
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
13 1.03 10
14 5.63 56
15 9.97 100
28 58.71 587
29 18.49 185
30 2.33 23
31 26.85 269
32 21.45 215
37 0.97 10
38 2.11 21
39 10.29 103
40 1.21 12
41 6 60
42 1.37 14
43 3.11 31
44 1.48 15
45 0.65 7
49 0.6 6
50 11.24 112
51 27.73 277
52 5.73 57
53 1.53 15
55 2.41 24
56 1.19 12
57 1.82 18
58 1.43 14
62 1.62 16
63 5.02 50
64 1.71 17
65 13.98 140
66 1.07 11
67 0.74 7
69 7.53 75
70 1.24 12
71 1.29 13
72 0.6 6
73 0.95 10
74 2.87 29
75 1.9 19
76 3.26 33
77 46.07 461
78 6.99 70
79 12.07 121
80 0.93 9
81 0.66 7
83 0.76 8
84 0.62 6
85 0.69 7
89 6.61 66
90 7.52 75
91 56.09 561
92 5.47 55
105 99.99 999
106 9.27 93
107 7.99 80
108 1.53 15
119 2 20
131 1.81 18
165 1.64 16
166 0.66 7
167 5.83 58
168 0.94 9
169 1.59 16
181 1.02 10
194 5.72 57
195 0.86 9
212 33.05 331
213 6.05 61
//
system version 2.2.8-SNAPSHOT