ACCESSION: MSBNK-Waters-WA002827
RECORD_TITLE: Zopiclone N-oxide; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Zopiclone N-oxide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₇ClN₆O₄
CH$EXACT_MASS: 404.09998
CH$SMILES: Clc(c4)cnc(c4)N(C(=O)1)C(OC(=O)N(C3)CC[N+1](C)([O-1])C3)c(n2)c(ncc2)1
CH$IUPAC: InChI=1S/C17H17ClN6O4/c1-24(27)8-6-22(7-9-24)17(26)28-16-14-13(19-4-5-20-14)15(25)23(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3
CH$LINK: CAS 43200-96-0
CH$LINK: INCHIKEY IPTIKKTXLHVRKN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20962959

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 12.010 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 60 V

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

PK$SPLASH: splash10-0006-0980300000-bf13177a82a941a8e7e4
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  100 114 114
  101 31 31
  116 12 12
  117 27 27
  127 39 39
  129 24 24
  130 12 12
  132 12 12
  139 20 20
  141 12 12
  143 999 999
  144 419 419
  145 24 24
  146 20 20
  155 8 8
  161 12 12
  189 8 8
  190 8 8
  217 407 407
  218 20 20
  219 165 165
  220 12 12
  233 8 8
  245 509 509
  246 43 43
  247 176 176
  248 12 12
  261 200 200
  262 16 16
  263 121 121
  264 8 8
  265 16 16
  286 8 8
  361 8 8
  405 431 431
  406 47 47
  407 149 149
  408 16 16
//