MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007507
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007507
RECORD_TITLE: 4-NITROPHENOXYACETIC ACID TRIMETHYLSILYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 4-NITROPHENOXYACETIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H15NO5Si
CH$EXACT_MASS: 269.07195
CH$SMILES: [O-1][N+1](=O)c(c1)ccc(OCC(=O)O[Si](C)(C)C)c1
CH$IUPAC: InChI=1S/C11H15NO5Si/c1-18(2,3)17-11(13)8-16-10-6-4-9(5-7-10)12(14)15/h4-7H,8H2,1-3H3
CH$LINK: INCHIKEY
BQGPLKHQGVWGMH-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-0092-9510000000-e2b477ffb9d73995dd0f
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
43 7.4 74
44 4.3 43
45 25.4 254
46 0.12 1
47 13.6 136
50 13 130
51 3.7 37
52 0.12 1
53 1.2 12
55 1.2 12
57 1.2 12
58 0.74 7
59 5.5 55
61 6.2 62
63 8.6 86
64 0.74 7
65 1.2 12
69 2.4 24
71 3.1 31
72 1.05 11
73 43.4 434
74 40.9 409
75 99.99 999
76 2.6 26
77 9.3 93
78 6.2 62
79 1.2 12
83 0.18 2
88 3.1 31
89 1.2 12
91 4.3 43
92 0.93 9
93 1.8 18
101 3.7 37
103 1.2 12
104 0.18 2
105 2.4 24
106 5.5 55
107 9.9 99
108 0.99 10
115 3.1 31
116 9.3 93
117 16.1 161
118 0.18 2
119 1.2 12
120 1.2 12
121 2.4 24
122 0.31 3
123 1.2 12
127 1.2 12
129 1.2 12
130 0.18 2
131 2.4 24
132 3.1 31
134 1.2 12
135 1.36 14
136 4.9 49
148 1.2 12
149 26 260
150 1.18 12
151 3.7 37
152 1.8 18
163 1.8 18
164 5.21 52
165 9.3 93
166 3.1 31
168 1.8 18
179 0.12 1
180 8 80
181 1.2 12
182 1.2 12
193 0.24 2
195 12.4 124
196 44 440
197 8 80
198 0.12 1
208 5.5 55
210 4.3 43
224 16.1 161
225 0.74 7
226 9.3 93
227 1.2 12
237 1.8 18
239 0.24 2
253 1.2 12
254 14.9 149
255 2.4 24
269 2.85 29
270 4.3 43
271 1.2 12
//