ACCESSION: MSBNK-Waters-WA000329
RECORD_TITLE: Zopiclone; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-01q9-0900000000-dc018d4cc574aabb390e
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  100 8 8
  103 20 20
  104 8 8
  112 905 905
  113 12 12
  114 309 309
  115 12 12
  117 12 12
  121 16 16
  127 39 39
  128 20 20
  130 999 999
  131 27 27
  132 333 333
  133 12 12
  136 8 8
  139 219 219
  141 82 82
  144 8 8
  145 8 8
  153 118 118
  154 43 43
  155 74 74
  156 8 8
  157 24 24
  159 8 8
  163 35 35
  164 8 8
  165 12 12
  171 8 8
  172 16 16
  180 12 12
  181 47 47
  182 39 39
  183 8 8
  190 59 59
  192 24 24
  217 212 212
  218 16 16
  219 71 71
  245 20 20
  247 8 8
  411 27 27
  413 12 12
  427 31 31
  429 12 12
//