MassBank Record: MSBNK-Waters-WA000772
ACCESSION: MSBNK-Waters-WA000772
RECORD_TITLE: Medazepam; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Medazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H15ClN2
CH$EXACT_MASS: 270.09238
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NCCN(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
CH$LINK: CAS
2898-12-6
CH$LINK: INCHIKEY
YLCXGBZIZBEVPZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1048708
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 13.800 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0aou-0950000000-9eed7e2565f13753a034
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
101 16 16
102 20 20
103 47 47
104 82 82
105 20 20
106 16 16
111 24 24
113 12 12
114 8 8
115 31 31
116 24 24
117 380 380
118 59 59
119 8 8
123 16 16
124 8 8
125 106 106
126 16 16
127 35 35
128 98 98
129 47 47
130 239 239
131 102 102
132 24 24
138 71 71
139 24 24
140 39 39
141 20 20
142 8 8
143 8 8
144 12 12
146 12 12
150 20 20
151 24 24
152 90 90
153 27 27
154 27 27
155 8 8
156 8 8
157 12 12
163 31 31
164 67 67
165 999 999
166 184 184
167 165 165
168 16 16
169 8 8
176 16 16
177 27 27
178 165 165
179 235 235
180 106 106
181 35 35
182 8 8
189 8 8
190 20 20
191 63 63
192 302 302
193 756 756
194 145 145
195 20 20
199 8 8
201 12 12
202 8 8
203 24 24
204 129 129
205 55 55
206 983 983
207 870 870
208 121 121
209 12 12
212 12 12
213 8 8
214 31 31
215 8 8
216 16 16
217 31 31
218 90 90
219 51 51
220 24 24
221 16 16
226 12 12
227 153 153
228 86 86
229 55 55
230 39 39
235 8 8
238 20 20
240 27 27
241 43 43
242 20 20
243 16 16
244 8 8
254 27 27
255 24 24
256 12 12
257 8 8
271 12 12
//