ACCESSION: MSBNK-Waters-WA000333
RECORD_TITLE: Zopiclone; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Zopiclone
CH$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 30 V

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

PK$SPLASH: splash10-0002-0095100000-4078510afe318b2c4bd6
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  100 8 8
  101 27 27
  143 133 133
  217 24 24
  245 999 999
  246 86 86
  247 384 384
  248 35 35
  249 16 16
  263 102 102
  264 8 8
  265 35 35
  286 8 8
  345 388 388
  346 63 63
  347 149 149
  348 20 20
  389 270 270
  390 35 35
  391 102 102
  392 16 16
  411 74 74
  412 12 12
  413 35 35
  427 67 67
  428 8 8
  429 27 27
//