ACCESSION: MSBNK-Waters-WA002954
RECORD_TITLE: Clonazepam; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Clonazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₀ClN₃O₃
CH$EXACT_MASS: 315.04107
CH$SMILES: [O-1][N+1](=O)c(c3)cc(c(c3)2)C(=NCC(=O)N2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
CH$LINK: CAS 1622-61-3
CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1022845

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 15.600 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 90 V

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

PK$SPLASH: splash10-0btc-0790000000-1dd66b21028852e481af
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  103 118 118
  104 274 274
  105 78 78
  106 16 16
  116 20 20
  117 31 31
  118 27 27
  119 12 12
  121 8 8
  125 51 51
  127 16 16
  128 8 8
  129 110 110
  130 129 129
  131 31 31
  132 8 8
  133 8 8
  138 31 31
  139 20 20
  140 35 35
  143 8 8
  145 20 20
  146 8 8
  149 8 8
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  155 12 12
  157 16 16
  158 8 8
  159 16 16
  163 24 24
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  169 35 35
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  203 16 16
  204 24 24
  205 509 509
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  273 8 8
  316 8 8
//