ACCESSION: MSBNK-Waters-WA002850
RECORD_TITLE: 7-Aminoclonazepam; 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$NAME: 7-Aminoclonazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₂ClN₃O
CH$EXACT_MASS: 285.06689
CH$SMILES: O=C(C2)Nc(c3)c(cc(N)c3)C(=N2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)
CH$LINK: CAS 4959-17-5
CH$LINK: INCHIKEY HEFRPWRJTGLSSV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90197913

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 12.110 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$SPLASH: splash10-000i-0090000000-b4eb35cbd3e9a5af8c44
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  121 35 35
  149 8 8
  222 59 59
  223 8 8
  250 172 172
  251 24 24
  258 8 8
  286 999 999
  287 137 137
  288 353 353
  289 47 47
  308 12 12
  324 12 12
//