MassBank Record: MSBNK-Waters-WA001046
ACCESSION: MSBNK-Waters-WA001046
RECORD_TITLE: Lorazepam; LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0098000000-6c9bdd2099d4396a66f8
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
128 20 20
138 8 8
156 8 8
166 20 20
229 161 161
230 8 8
231 47 47
241 8 8
250 8 8
252 8 8
265 51 51
267 35 35
269 8 8
275 999 999
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278 94 94
279 114 114
280 12 12
294 8 8
303 552 552
304 63 63
305 392 392
306 47 47
307 63 63
308 12 12
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322 39 39
323 227 227
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343 145 145
345 94 94
346 12 12
347 16 16
359 59 59
360 8 8
361 51 51
363 12 12
365 8 8
367 8 8
384 24 24
386 16 16
387 8 8
//