ACCESSION: MSBNK-Waters-WA002838
RECORD_TITLE: 7-Aminonitrazepam; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 7-Aminonitrazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₃N₃O
CH$EXACT_MASS: 251.10586
CH$SMILES: O=C(C2)Nc(c3)c(cc(N)c3)C(=N2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
CH$LINK: CAS 4928-02-3
CH$LINK: INCHIKEY OYOUQHVDCKOOAL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20197749

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 10.280 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 45 V

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

PK$SPLASH: splash10-0udi-0290000000-375d1d0744495006ce4d
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  105 24 24
  121 231 231
  122 12 12
  132 8 8
  146 16 16
  147 8 8
  149 20 20
  207 8 8
  208 8 8
  224 51 51
  225 8 8
  252 999 999
  253 145 145
  254 8 8
  274 20 20
//