MassBank Record: MSBNK-Waters-WA000774
ACCESSION: MSBNK-Waters-WA000774
RECORD_TITLE: Medazepam; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0490000000-ca081d6d6f224b3ee5d7
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
104 8 8
106 51 51
117 67 67
118 12 12
120 12 12
125 12 12
130 20 20
131 51 51
132 20 20
140 8 8
152 43 43
153 12 12
154 24 24
164 12 12
165 278 278
166 63 63
167 94 94
168 20 20
178 16 16
179 55 55
180 372 372
181 47 47
182 114 114
183 12 12
192 8 8
193 114 114
194 31 31
195 16 16
201 8 8
204 12 12
206 39 39
207 999 999
208 145 145
209 12 12
214 16 16
216 12 12
218 51 51
219 71 71
220 12 12
221 16 16
227 47 47
228 176 176
229 39 39
230 129 129
231 16 16
232 24 24
235 16 16
236 16 16
241 8 8
242 274 274
243 47 47
244 118 118
245 16 16
246 8 8
254 94 94
255 24 24
256 43 43
257 8 8
269 8 8
271 380 380
272 55 55
273 137 137
274 20 20
//