ACCESSION: MSBNK-Waters-WA000332
RECORD_TITLE: Zopiclone; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Zopiclone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₇ClN₆O₃
CH$EXACT_MASS: 388.10507
CH$SMILES: CN(C4)CCN(C4)C(=O)OC(c21)N(c(c3)ncc(Cl)c3)C(=O)c(nccn2)1
CH$IUPAC: InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3
CH$LINK: CAS 43200-80-2
CH$LINK: INCHIKEY GBBSUAFBMRNDJC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041155

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 11.510 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 45 V

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

PK$SPLASH: splash10-0002-0090000000-b511052033810e0d01fe
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  101 8 8
  139 8 8
  143 39 39
  217 286 286
  218 24 24
  219 86 86
  220 8 8
  245 999 999
  246 90 90
  247 360 360
  248 31 31
  249 12 12
  263 67 67
  264 8 8
  265 27 27
  345 74 74
  346 12 12
  347 27 27
  389 27 27
  391 12 12
  411 74 74
  412 8 8
  413 27 27
  427 27 27
  429 12 12
//