ACCESSION: MSBNK-Waters-WA001260
RECORD_TITLE: Lormetazepam; 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$NAME: Lormetazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂Cl₂N₂O₂
CH$EXACT_MASS: 334.02758
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N(C)2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
CH$LINK: CAS 848-75-9
CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40862442

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 16.400 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$SPLASH: splash10-000f-0090000000-6b90e46aabc05dc59aa0
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  107 8 8
  117 16 16
  125 12 12
  127 12 12
  138 35 35
  140 12 12
  142 12 12
  152 12 12
  177 27 27
  179 12 12
  180 43 43
  182 12 12
  213 27 27
  214 31 31
  215 12 12
  216 12 12
  219 8 8
  226 12 12
  227 133 133
  228 35 35
  229 43 43
  230 12 12
  243 125 125
  244 16 16
  245 43 43
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  252 24 24
  253 20 20
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  262 102 102
  263 8 8
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  265 8 8
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  279 8 8
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  289 999 999
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  294 20 20
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  400 8 8
//