ACCESSION: MSBNK-Waters-WA002950
RECORD_TITLE: Clonazepam; LC-ESI-Q; MS; NEG; 30 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 NEGATIVE
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 30 V

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

PK$SPLASH: splash10-03di-0029000000-8c0b821fde83e49add74
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  143 8 8
  248 24 24
  278 188 188
  279 35 35
  284 8 8
  286 47 47
  287 12 12
  288 27 27
  289 8 8
  314 999 999
  315 141 141
  316 337 337
  317 55 55
  318 12 12
//