MassBank Record: MSBNK-Waters-WA001258
ACCESSION: MSBNK-Waters-WA001258
RECORD_TITLE: Lormetazepam; 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$NAME: Lormetazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H12Cl2N2O2
CH$EXACT_MASS: 334.02758
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N(C)2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
CH$LINK: CAS
848-75-9
CH$LINK: INCHIKEY
FJIKWRGCXUCUIG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40862442
AC$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$CHROMATOGRAPHY: RETENTION_TIME 16.400 min
AC$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: splash10-004i-0980000000-1ca33bfe7222bfe7f267
PK$NUM_PEAK: 144
PK$PEAK: m/z int. rel.int.
100 20 20
101 24 24
102 141 141
104 20 20
106 78 78
107 98 98
111 141 141
113 51 51
114 35 35
115 12 12
116 27 27
117 274 274
118 8 8
120 35 35
123 82 82
125 439 439
126 20 20
127 333 333
128 12 12
129 98 98
130 192 192
131 31 31
132 47 47
133 12 12
134 8 8
136 27 27
138 278 278
139 153 153
140 118 118
141 59 59
142 98 98
143 35 35
144 8 8
150 149 149
151 51 51
152 247 247
153 27 27
154 71 71
155 12 12
163 12 12
164 102 102
165 533 533
166 149 149
167 27 27
168 16 16
169 12 12
176 12 12
177 999 999
178 188 188
179 404 404
180 98 98
181 35 35
182 12 12
186 27 27
188 12 12
190 55 55
191 165 165
192 419 419
193 176 176
194 55 55
195 8 8
199 110 110
200 20 20
201 59 59
202 24 24
203 27 27
204 24 24
205 12 12
206 16 16
207 27 27
208 47 47
209 24 24
212 12 12
213 325 325
214 309 309
215 145 145
216 98 98
217 27 27
218 43 43
219 168 168
220 31 31
221 12 12
226 106 106
227 787 787
228 650 650
229 364 364
230 200 200
231 31 31
233 8 8
235 8 8
237 12 12
238 12 12
239 188 188
240 35 35
241 67 67
242 12 12
243 219 219
244 24 24
245 71 71
246 8 8
247 16 16
248 24 24
249 12 12
250 24 24
252 8 8
253 274 274
254 39 39
255 133 133
256 20 20
257 16 16
261 12 12
262 59 59
263 94 94
264 47 47
265 63 63
266 12 12
267 12 12
273 176 176
274 20 20
275 129 129
276 12 12
277 43 43
279 12 12
289 607 607
290 63 63
291 513 513
292 67 67
293 125 125
294 16 16
295 12 12
305 12 12
311 8 8
317 8 8
319 8 8
357 59 59
358 8 8
359 47 47
360 8 8
361 8 8
373 39 39
374 8 8
375 27 27
379 8 8
398 8 8
//