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MassBank Record: WA001046

Lorazepam; LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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
  276 102 102
  277 709 709
  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
  321 325 325
  322 39 39
  323 227 227
  324 35 35
  325 55 55
  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
//

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