ACCESSION: MSBNK-Waters-WA000751
RECORD_TITLE: Nitrazepam; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-000i-0190000000-ea021526312dce1fea06
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  103 8 8
  105 20 20
  118 8 8
  133 8 8
  151 8 8
  158 24 24
  176 24 24
  179 12 12
  180 145 145
  181 24 24
  191 8 8
  192 8 8
  193 8 8
  194 8 8
  195 16 16
  196 27 27
  204 8 8
  207 141 141
  208 110 110
  209 16 16
  217 12 12
  223 12 12
  224 8 8
  235 39 39
  236 999 999
  237 153 153
  238 12 12
  251 24 24
  252 8 8
  254 24 24
  282 251 251
  283 43 43
//