ACCESSION: MSBNK-Waters-WA002828
RECORD_TITLE: Zopiclone N-oxide; 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$NAME: Zopiclone N-oxide
CH$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 45 V

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

PK$SPLASH: splash10-0006-0930400000-5ae0efaa1af14f39c954
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  100 125 125
  101 24 24
  116 12 12
  117 39 39
  127 43 43
  129 16 16
  143 999 999
  144 529 529
  145 27 27
  146 8 8
  161 12 12
  189 8 8
  217 106 106
  218 8 8
  219 59 59
  221 8 8
  245 188 188
  246 12 12
  247 67 67
  261 168 168
  262 16 16
  263 86 86
  264 8 8
  265 8 8
  361 8 8
  405 560 560
  406 63 63
  407 200 200
  408 24 24
  446 8 8
//