ACCESSION: MSBNK-Waters-WA001258
RECORD_TITLE: Lormetazepam; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-004i-0980000000-1ca33bfe7222bfe7f267
PK$NUM_PEAK: 144
PK$PEAK: m/z int. rel.int.
  100 20 20
  101 24 24
  102 141 141
  104 20 20
  106 78 78
  107 98 98
  111 141 141
  113 51 51
  114 35 35
  115 12 12
  116 27 27
  117 274 274
  118 8 8
  120 35 35
  123 82 82
  125 439 439
  126 20 20
  127 333 333
  128 12 12
  129 98 98
  130 192 192
  131 31 31
  132 47 47
  133 12 12
  134 8 8
  136 27 27
  138 278 278
  139 153 153
  140 118 118
  141 59 59
  142 98 98
  143 35 35
  144 8 8
  150 149 149
  151 51 51
  152 247 247
  153 27 27
  154 71 71
  155 12 12
  163 12 12
  164 102 102
  165 533 533
  166 149 149
  167 27 27
  168 16 16
  169 12 12
  176 12 12
  177 999 999
  178 188 188
  179 404 404
  180 98 98
  181 35 35
  182 12 12
  186 27 27
  188 12 12
  190 55 55
  191 165 165
  192 419 419
  193 176 176
  194 55 55
  195 8 8
  199 110 110
  200 20 20
  201 59 59
  202 24 24
  203 27 27
  204 24 24
  205 12 12
  206 16 16
  207 27 27
  208 47 47
  209 24 24
  212 12 12
  213 325 325
  214 309 309
  215 145 145
  216 98 98
  217 27 27
  218 43 43
  219 168 168
  220 31 31
  221 12 12
  226 106 106
  227 787 787
  228 650 650
  229 364 364
  230 200 200
  231 31 31
  233 8 8
  235 8 8
  237 12 12
  238 12 12
  239 188 188
  240 35 35
  241 67 67
  242 12 12
  243 219 219
  244 24 24
  245 71 71
  246 8 8
  247 16 16
  248 24 24
  249 12 12
  250 24 24
  252 8 8
  253 274 274
  254 39 39
  255 133 133
  256 20 20
  257 16 16
  261 12 12
  262 59 59
  263 94 94
  264 47 47
  265 63 63
  266 12 12
  267 12 12
  273 176 176
  274 20 20
  275 129 129
  276 12 12
  277 43 43
  279 12 12
  289 607 607
  290 63 63
  291 513 513
  292 67 67
  293 125 125
  294 16 16
  295 12 12
  305 12 12
  311 8 8
  317 8 8
  319 8 8
  357 59 59
  358 8 8
  359 47 47
  360 8 8
  361 8 8
  373 39 39
  374 8 8
  375 27 27
  379 8 8
  398 8 8
//