ACCESSION: MSBNK-Waters-WA001261
RECORD_TITLE: Lormetazepam; 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$NAME: Lormetazepam
CH$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 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-000l-0094000000-3e75245033c5a5f3ae50
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  180 24 24
  182 8 8
  227 8 8
  243 20 20
  250 35 35
  252 20 20
  262 35 35
  264 24 24
  279 12 12
  281 8 8
  289 999 999
  290 125 125
  291 690 690
  292 86 86
  293 110 110
  294 16 16
  317 137 137
  318 12 12
  319 98 98
  320 16 16
  321 16 16
  335 188 188
  336 20 20
  337 141 141
  338 20 20
  339 24 24
  357 176 176
  358 16 16
  359 133 133
  360 16 16
  361 24 24
  373 31 31
  375 24 24
  398 20 20
  400 16 16
//