ACCESSION: MSBNK-Waters-WA002849
RECORD_TITLE: 7-Aminoclonazepam; 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$NAME: 7-Aminoclonazepam
CH$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 60 V

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

PK$SPLASH: splash10-00dr-0390000000-43db110f3135fa6dbc3a
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  121 697 697
  122 39 39
  125 8 8
  131 12 12
  132 27 27
  139 16 16
  144 8 8
  146 35 35
  147 35 35
  149 47 47
  150 8 8
  166 8 8
  182 8 8
  193 12 12
  194 90 90
  195 110 110
  196 12 12
  205 35 35
  206 20 20
  207 16 16
  208 8 8
  209 78 78
  210 8 8
  211 8 8
  221 16 16
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  223 114 114
  224 12 12
  233 8 8
  234 12 12
  235 8 8
  241 8 8
  242 24 24
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  251 94 94
  252 8 8
  257 8 8
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  259 12 12
  260 16 16
  270 8 8
  286 999 999
  287 125 125
  288 353 353
  289 43 43
  308 24 24
  324 16 16
  326 8 8
//