MassBank Record: MSBNK-BAFG-CSL2311094892
ACCESSION: MSBNK-BAFG-CSL2311094892
RECORD_TITLE: Lorazepam; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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: splash10-002f-0940000000-ad3f23d322a8cba50465
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
93.0568 0.9 169
102.0332 0.9 169
110.9974 0.5 94
130.0402 0.5 94
135.9932 0.6 113
138.0096 2.2 414
163.0055 2.1 395
163.9984 0.6 113
166.0053 0.4 75
167.0724 0.4 75
168.0676 0.4 75
177.0551 1.1 207
193.074 1.5 282
194.082 5.3 999
205.0736 0.8 150
229.0507 3 565
239.0346 1.4 263
263.0142 0.9 169
275.0112 1.4 263
//