MassBank Record: MSBNK-Osaka_Univ-OUF00183
ACCESSION: MSBNK-Osaka_Univ-OUF00183
RECORD_TITLE: Dimethylbenzimidazole; GC-EI-TOF; MS; n TMS; RT:704.053 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
CH$NAME: Dimethylbenzimidazole
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C9H10N2
CH$EXACT_MASS: 146.08440
CH$SMILES: C1=CC=C2C(=C1)C=C(N2)CN
CH$IUPAC: InChI=1S/C9H10N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,11H,6,10H2
CH$LINK: CAS
582-60-5
CH$LINK: CHEMSPIDER
506151
CH$LINK: PUBCHEM
CID:582331
CH$LINK: INCHIKEY
RNAODKZCUVVPEN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50342487
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1831.350
AC$CHROMATOGRAPHY: RETENTION_TIME 704.053 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0gb9-2690000000-75a7856d6a7744fed160
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
85 18 18
86 14 14
87 20 20
88 13 13
89 123 123
90 83 83
91 278 278
92 53 53
93 58 58
94 92 92
95 20 20
96 8 8
97 8 8
98 5 5
99 5 5
100 4 4
101 21 21
102 40 40
103 50 50
104 30 30
105 39 39
106 15 15
107 15 15
108 11 11
109 13 13
110 2 2
112 1 1
114 5 5
115 9 9
116 172 172
117 102 102
118 135 135
119 67 67
120 21 21
121 24 24
122 3 3
123 4 4
127 1 1
128 5 5
129 10 10
130 22 22
131 105 105
132 33 33
133 23 23
134 16 16
135 9 9
136 3 3
142 3 3
143 18 18
144 26 26
145 157 157
146 115 115
147 37 37
148 24 24
149 26 26
150 5 5
151 1 1
156 3 3
157 8 8
158 10 10
159 18 18
160 47 47
161 39 39
162 74 74
163 17 17
164 3 3
165 1 1
169 1 1
170 1 1
171 28 28
172 16 16
173 56 56
174 27 27
175 30 30
176 48 48
177 19 19
178 3 3
183 1 1
184 2 2
185 20 20
186 9 9
187 49 49
188 46 46
189 17 17
190 10 10
191 4 4
193 1 1
195 1 1
196 1 1
197 1 1
198 1 1
199 3 3
200 2 2
201 46 46
202 24 24
203 877 877
204 182 182
205 53 53
206 5 5
207 1 1
209 1 1
210 1 1
213 1 1
214 1 1
215 7 7
216 9 9
217 251 251
218 999 999
219 209 209
220 52 52
221 5 5
222 1 1
226 1 1
230 1 1
231 1 1
240 1 1
322 1 1
338 1 1
385 1 1
//