ACCESSION: MSBNK-Waters-WA002836
RECORD_TITLE: 7-Aminonitrazepam; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 7-Aminonitrazepam
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-00di-0910000000-3720c9c0d6390f041c47
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  104 106 106
  105 47 47
  106 20 20
  107 47 47
  108 39 39
  116 24 24
  117 8 8
  118 8 8
  119 90 90
  121 999 999
  122 59 59
  129 8 8
  131 39 39
  132 71 71
  133 16 16
  144 12 12
  146 133 133
  147 43 43
  149 16 16
  153 12 12
  165 8 8
  167 8 8
  168 8 8
  174 8 8
  178 8 8
  180 74 74
  181 16 16
  182 12 12
  190 12 12
  191 8 8
  192 8 8
  193 12 12
  195 43 43
  196 8 8
  197 16 16
  205 8 8
  206 35 35
  207 59 59
  208 110 110
  209 31 31
  210 12 12
  222 31 31
  223 35 35
  224 31 31
  234 8 8
  252 59 59
  253 8 8
//