MassBank Record: MSBNK-Waters-WA000698
ACCESSION: MSBNK-Waters-WA000698
RECORD_TITLE: Prazepam; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Prazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H17ClN2O
CH$EXACT_MASS: 324.10294
CH$SMILES: Clc(c3)cc(C=1c(c4)cccc4)c(c3)N(CC(C2)C2)C(=O)CN1
CH$IUPAC: InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2
CH$LINK: CAS
2955-38-6
CH$LINK: INCHIKEY
MWQCHHACWWAQLJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021181
AC$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$CHROMATOGRAPHY: RETENTION_TIME 18.800 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00dl-0690000000-0d195b8921aee6b970c7
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
104 31 31
105 74 74
106 27 27
113 8 8
116 67 67
117 39 39
118 31 31
127 24 24
129 12 12
130 16 16
131 8 8
133 24 24
138 20 20
140 639 639
141 31 31
142 212 212
143 12 12
144 20 20
150 20 20
152 16 16
153 12 12
154 8 8
157 8 8
158 86 86
159 16 16
164 8 8
165 400 400
166 86 86
167 133 133
168 59 59
170 12 12
177 8 8
179 8 8
180 31 31
181 31 31
182 8 8
190 12 12
191 47 47
192 12 12
193 153 153
194 24 24
195 16 16
199 8 8
204 8 8
206 35 35
207 67 67
208 439 439
209 59 59
214 39 39
216 31 31
217 12 12
218 51 51
219 43 43
220 12 12
221 12 12
226 114 114
227 74 74
228 86 86
229 31 31
230 20 20
232 12 12
233 24 24
235 16 16
236 12 12
238 24 24
240 16 16
241 86 86
242 51 51
243 231 231
244 35 35
245 67 67
246 8 8
253 20 20
255 59 59
256 12 12
257 20 20
268 16 16
269 12 12
271 999 999
272 137 137
273 345 345
274 43 43
325 31 31
327 12 12
//