MassBank Record: MSBNK-BAFG-CSL2311094895
ACCESSION: MSBNK-BAFG-CSL2311094895
RECORD_TITLE: Lorazepam; LC-ESI-QTOF; MS2; 70 V
DATE: 2023.11.09
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541
CH$NAME: Lorazepam
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C15H10Cl2N2O2
CH$EXACT_MASS: 320.0119
CH$SMILES: OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O
CH$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
AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 9.538 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 321.0192
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1
PK$SPLASH: splash10-000f-0910000000-081bc6ceaf458a0f2cd0
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
75.0252 0.6 157
93.0601 0.7 184
100.0173 0.9 236
102.0331 1.6 420
110.9995 0.8 210
130.037 0.4 105
135.994 1.1 289
138.0096 1.2 315
163.0035 1.2 315
164.0003 0.9 236
166.0652 0.6 157
167.0729 0.8 210
168.0647 0.6 157
177.0553 1.5 394
192.0675 0.6 157
193.0748 1.9 499
194.0826 3.8 999
205.0752 1 262
228.0482 0.4 105
229.0551 0.8 210
239.0358 1.3 341
//