MassBank Record: MSBNK-Waters-WA000295
ACCESSION: MSBNK-Waters-WA000295
RECORD_TITLE: Temazepam; 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$NAME: Temazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H13ClN2O2
CH$EXACT_MASS: 300.06656
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
CH$LINK: CAS
846-50-4
CH$LINK: INCHIKEY
SEQDDYPDSLOBDC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021309
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.850 min
AC$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: splash10-004l-0930000000-0a0cd00cc0b05b1a4641
PK$NUM_PEAK: 107
PK$PEAK: m/z int. rel.int.
101 20 20
102 8 8
104 302 302
105 82 82
106 55 55
107 39 39
111 51 51
113 16 16
114 47 47
115 24 24
116 63 63
117 223 223
118 129 129
119 8 8
123 129 129
125 392 392
126 12 12
127 235 235
128 8 8
129 51 51
130 27 27
131 12 12
132 55 55
133 8 8
136 20 20
138 35 35
139 47 47
140 31 31
141 20 20
142 71 71
143 8 8
144 8 8
145 16 16
150 168 168
151 74 74
152 219 219
153 39 39
154 47 47
155 8 8
157 8 8
163 8 8
164 63 63
165 451 451
166 176 176
167 55 55
168 20 20
169 20 20
177 556 556
178 102 102
179 247 247
180 165 165
181 71 71
182 12 12
190 12 12
191 67 67
192 161 161
193 999 999
194 204 204
195 24 24
199 12 12
201 16 16
203 16 16
204 16 16
205 188 188
206 43 43
207 8 8
208 12 12
209 24 24
213 16 16
214 51 51
215 12 12
216 24 24
218 8 8
219 71 71
220 20 20
221 31 31
227 27 27
228 133 133
229 161 161
230 59 59
231 51 51
232 8 8
239 235 235
240 31 31
241 86 86
242 8 8
243 78 78
244 12 12
245 27 27
253 12 12
255 466 466
256 59 59
257 239 239
258 27 27
259 24 24
271 12 12
283 8 8
301 8 8
323 71 71
324 8 8
325 24 24
339 24 24
341 12 12
364 8 8
365 20 20
366 8 8
381 16 16
//