ACCESSION: MSBNK-Waters-WA000749
RECORD_TITLE: Nitrazepam; 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$NAME: Nitrazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₁N₃O₃
CH$EXACT_MASS: 281.08004
CH$SMILES: O=N(=O)c(c3)cc(c2c3)C(=NCC(=O)N2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
CH$LINK: CAS 146-22-5
CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023372

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 90 V

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

PK$SPLASH: splash10-0kai-0930000000-9c26add9aa9d4652c447
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  103 114 114
  104 231 231
  105 63 63
  106 8 8
  115 16 16
  116 31 31
  117 27 27
  118 31 31
  119 8 8
  122 8 8
  129 78 78
  131 16 16
  133 8 8
  139 8 8
  140 8 8
  141 16 16
  144 8 8
  145 8 8
  151 12 12
  152 161 161
  153 188 188
  154 39 39
  155 12 12
  156 8 8
  157 12 12
  163 20 20
  164 47 47
  165 90 90
  166 39 39
  167 67 67
  168 55 55
  169 24 24
  170 8 8
  177 8 8
  178 59 59
  179 94 94
  180 999 999
  181 137 137
  182 8 8
  190 337 337
  191 141 141
  192 98 98
  193 55 55
  194 35 35
  195 47 47
  196 20 20
  205 63 63
  206 243 243
  207 572 572
  208 102 102
  209 12 12
  217 12 12
  219 8 8
  221 8 8
  223 16 16
  235 35 35
  236 86 86
  237 8 8
  282 16 16
//