ACCESSION: MSBNK-Waters-WA002952
RECORD_TITLE: Clonazepam; 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$NAME: Clonazepam
CH$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 60 V

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

PK$SPLASH: splash10-00di-0092000000-979b01b9785cfcecabd2
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  105 12 12
  106 8 8
  109 8 8
  125 8 8
  130 16 16
  151 12 12
  158 24 24
  176 16 16
  179 8 8
  180 8 8
  187 8 8
  190 12 12
  195 31 31
  204 8 8
  206 31 31
  207 102 102
  208 16 16
  214 94 94
  215 8 8
  216 31 31
  217 16 16
  223 47 47
  224 8 8
  227 8 8
  229 8 8
  230 16 16
  235 16 16
  241 82 82
  242 63 63
  243 31 31
  244 20 20
  251 31 31
  252 12 12
  253 8 8
  257 8 8
  269 20 20
  270 999 999
  271 133 133
  272 337 337
  273 35 35
  285 12 12
  287 8 8
  288 16 16
  316 333 333
  317 47 47
  318 118 118
  319 16 16
//