ACCESSION: MSBNK-Waters-WA002826
RECORD_TITLE: Zopiclone N-oxide; 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$NAME: Zopiclone N-oxide
CH$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 75 V

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

PK$SPLASH: splash10-00kf-0970000000-8ab7a3c410c820018c46
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  100 129 129
  101 31 31
  102 8 8
  112 114 114
  114 35 35
  116 16 16
  117 8 8
  120 8 8
  127 39 39
  129 12 12
  130 255 255
  132 78 78
  139 192 192
  141 67 67
  143 999 999
  144 482 482
  145 35 35
  146 20 20
  153 55 55
  155 31 31
  157 47 47
  159 12 12
  161 8 8
  163 12 12
  180 31 31
  181 27 27
  182 31 31
  190 55 55
  192 16 16
  205 8 8
  217 948 948
  218 47 47
  219 357 357
  220 24 24
  233 12 12
  235 8 8
  245 423 423
  246 27 27
  247 137 137
  248 12 12
  261 161 161
  262 8 8
  263 94 94
  264 8 8
  265 12 12
  405 90 90
  406 8 8
  407 35 35
  427 8 8
//