MassBank Record: MSBNK-Waters-WA001045
ACCESSION: MSBNK-Waters-WA001045
RECORD_TITLE: Lorazepam; 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$NAME: Lorazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H10Cl2N2O2
CH$EXACT_MASS: 320.01193
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
CH$LINK: CAS
846-49-1
CH$LINK: INCHIKEY
DIWRORZWFLOCLC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7023225
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.200 min
AC$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: splash10-004i-0192000000-33f063cf264f3f6f89ca
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
128 110 110
130 43 43
138 157 157
139 12 12
140 51 51
153 27 27
155 8 8
156 12 12
163 63 63
164 8 8
165 20 20
166 27 27
168 12 12
179 12 12
181 8 8
194 43 43
195 8 8
205 8 8
214 8 8
229 999 999
230 110 110
231 353 353
232 31 31
239 16 16
241 24 24
250 8 8
252 8 8
257 16 16
259 8 8
263 12 12
265 67 67
267 39 39
269 12 12
275 936 936
276 114 114
277 650 650
278 82 82
279 98 98
280 16 16
291 16 16
292 12 12
293 12 12
303 153 153
304 16 16
305 121 121
306 16 16
307 20 20
321 51 51
323 31 31
325 20 20
327 8 8
343 145 145
344 16 16
345 94 94
346 16 16
347 16 16
359 78 78
360 8 8
361 67 67
362 8 8
363 12 12
365 8 8
367 8 8
384 20 20
386 12 12
//