ACCESSION: MSBNK-Waters-WA001259
RECORD_TITLE: Lormetazepam; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-004u-0390000000-86d01760dc7eb8a75095
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  102 20 20
  107 55 55
  111 16 16
  113 8 8
  117 118 118
  120 8 8
  123 8 8
  125 129 129
  127 114 114
  129 24 24
  130 35 35
  132 16 16
  138 168 168
  139 27 27
  140 59 59
  141 12 12
  142 35 35
  143 8 8
  144 8 8
  150 43 43
  152 82 82
  153 8 8
  154 24 24
  164 12 12
  165 59 59
  166 24 24
  167 8 8
  168 8 8
  177 309 309
  178 31 31
  179 114 114
  180 71 71
  181 8 8
  182 20 20
  191 35 35
  192 94 94
  193 27 27
  194 8 8
  199 24 24
  201 16 16
  206 8 8
  207 8 8
  208 16 16
  209 12 12
  213 165 165
  214 161 161
  215 71 71
  216 51 51
  217 8 8
  218 8 8
  219 59 59
  220 12 12
  226 51 51
  227 639 639
  228 270 270
  229 239 239
  230 86 86
  231 8 8
  239 31 31
  241 12 12
  243 282 282
  244 39 39
  245 94 94
  246 12 12
  248 8 8
  250 27 27
  252 16 16
  253 114 114
  254 20 20
  255 67 67
  256 12 12
  257 12 12
  262 118 118
  263 27 27
  264 78 78
  265 20 20
  266 20 20
  273 47 47
  274 8 8
  275 31 31
  277 16 16
  279 8 8
  289 999 999
  290 121 121
  291 744 744
  292 98 98
  293 165 165
  294 20 20
  295 8 8
  305 8 8
  307 8 8
  311 8 8
  317 12 12
  319 8 8
  357 74 74
  358 12 12
  359 55 55
  360 8 8
  361 12 12
  373 20 20
  375 12 12
  379 8 8
  398 8 8
//