MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002718
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002718
RECORD_TITLE: BENZOIC ACID MONO-TMS; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BENZOIC ACID MONO-TMS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2Si
CH$EXACT_MASS: 194.07631
CH$SMILES: O=C(O[Si](C)(C)C)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H14O2Si/c1-13(2,3)12-10(11)9-7-5-4-6-8-9/h4-8H,1-3H3
CH$LINK: INCHIKEY
VFFKJOXNCSJSAQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30174864
AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-056r-4900000000-6f70fa0b6583ede670ba
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
40 4.5 45
42 0.9 9
43 5.6 56
44 4.1 41
45 7.1 71
46 0.4 4
47 2.9 29
48 0.01 0
50 3.7 37
51 12.8 128
52 0.8 8
53 0.06 1
54 0.1 1
55 0.5 5
57 0.1 1
58 0.06 1
59 3.6 36
60 0.6 6
62 0.2 2
63 0.02 0
64 0.1 1
65 0.4 4
66 0.1 1
67 0.01 0
70 0.1 1
72 0.8 8
73 6.2 62
74 0.18 2
75 8.3 83
76 3.7 37
77 55.1 551
78 0.41 4
79 0.2 2
85 0.1 1
89 0.1 1
90 0.37 4
91 0.8 8
92 0.2 2
93 0.4 4
95 0.01 0
96 0.1 1
100 0.1 1
101 0.2 2
102 0.02 0
103 0.3 3
104 0.7 7
105 85.6 856
106 0.68 7
107 0.7 7
108 0.1 1
111 0.1 1
115 0.01 0
116 0.2 2
117 0.5 5
119 0.6 6
120 0.02 0
121 0.9 9
122 0.7 7
123 0.1 1
129 0.01 0
132 0.2 2
133 0.2 2
134 0.4 4
135 4.26 43
136 5.9 59
137 1.7 17
138 0.1 1
145 0.01 0
147 0.1 1
148 0.1 1
149 0.3 3
150 0.02 0
151 0.1 1
163 0.2 2
164 0.2 2
165 0.03 0
166 0.1 1
177 0.1 1
178 0.6 6
179 99.99 999
180 15 150
181 4.8 48
182 0.3 3
192 0.01 0
193 1.4 14
194 7.1 71
195 1.1 11
196 0.2 2
//
system version 2.2.6-SNAPSHOT