ACCESSION: MSBNK-Waters-WA002837
RECORD_TITLE: 7-Aminonitrazepam; 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$NAME: 7-Aminonitrazepam
CH$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 60 V

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

PK$SPLASH: splash10-00di-0940000000-7c41c6b1beabf18c1c3e
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  104 20 20
  105 51 51
  106 8 8
  107 20 20
  108 16 16
  116 8 8
  119 20 20
  121 999 999
  122 59 59
  131 24 24
  132 43 43
  144 8 8
  146 106 106
  147 39 39
  149 39 39
  174 16 16
  180 20 20
  195 16 16
  197 12 12
  206 12 12
  207 51 51
  208 63 63
  209 20 20
  210 12 12
  222 16 16
  223 27 27
  224 98 98
  225 12 12
  234 12 12
  235 8 8
  236 8 8
  252 376 376
  253 51 51
  274 8 8
//