ACCESSION: MSBNK-Waters-WA000750
RECORD_TITLE: Nitrazepam; 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$NAME: Nitrazepam
CH$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 75 V

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

PK$SPLASH: splash10-0a5i-0980000000-1ac68bc302e779766342
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  103 67 67
  104 94 94
  105 90 90
  106 12 12
  116 20 20
  117 8 8
  118 24 24
  121 8 8
  122 8 8
  133 20 20
  152 39 39
  153 35 35
  154 8 8
  155 12 12
  157 8 8
  158 24 24
  159 8 8
  164 20 20
  165 39 39
  166 12 12
  167 35 35
  168 47 47
  169 8 8
  176 20 20
  178 16 16
  179 55 55
  180 999 999
  181 145 145
  182 8 8
  190 153 153
  191 78 78
  192 74 74
  193 51 51
  194 51 51
  195 67 67
  196 35 35
  205 12 12
  206 86 86
  207 889 889
  208 274 274
  209 31 31
  217 16 16
  218 8 8
  221 8 8
  223 39 39
  224 8 8
  235 90 90
  236 760 760
  237 98 98
  238 8 8
  251 20 20
  254 8 8
  282 39 39
//