ACCESSION: MSBNK-Waters-WA000330
RECORD_TITLE: Zopiclone; 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$NAME: Zopiclone
CH$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 75 V

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

PK$SPLASH: splash10-02ai-0930000000-124796da69eec38bcf42
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  112 607 607
  114 200 200
  115 8 8
  127 16 16
  130 999 999
  131 24 24
  132 353 353
  133 12 12
  139 411 411
  140 12 12
  141 149 149
  153 114 114
  154 27 27
  155 55 55
  157 67 67
  159 27 27
  163 35 35
  165 8 8
  172 20 20
  180 24 24
  181 63 63
  182 63 63
  183 8 8
  190 102 102
  191 8 8
  192 35 35
  217 705 705
  218 63 63
  219 251 251
  220 20 20
  239 8 8
  245 145 145
  246 12 12
  247 55 55
  263 8 8
  268 8 8
  367 16 16
  411 47 47
  413 16 16
  427 24 24
  429 12 12
//