ACCESSION: MSBNK-Waters-WA002953
RECORD_TITLE: Clonazepam; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-06xx-0290000000-a56f07530e0ea35401f0
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  103 67 67
  104 71 71
  105 71 71
  106 20 20
  107 12 12
  116 8 8
  118 16 16
  121 8 8
  125 27 27
  127 8 8
  129 8 8
  130 110 110
  131 20 20
  133 24 24
  138 16 16
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  140 8 8
  146 8 8
  151 16 16
  152 8 8
  153 12 12
  154 8 8
  157 8 8
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  171 12 12
  176 20 20
  177 16 16
  178 27 27
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  181 24 24
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  188 12 12
  190 239 239
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  196 16 16
  198 16 16
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  202 20 20
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  207 642 642
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  215 110 110
  216 278 278
  217 51 51
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  221 8 8
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  224 31 31
  225 8 8
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  228 24 24
  229 39 39
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  318 20 20
//