ACCESSION: MSBNK-Waters-WA002825
RECORD_TITLE: Zopiclone N-oxide; 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$NAME: Zopiclone N-oxide
CH$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 90 V

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

PK$SPLASH: splash10-015c-0940000000-e25e3f9b93d51c392eac
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  100 110 110
  101 24 24
  102 8 8
  103 12 12
  112 564 564
  114 180 180
  115 8 8
  116 8 8
  117 12 12
  119 12 12
  127 35 35
  128 8 8
  129 12 12
  130 972 972
  131 8 8
  132 329 329
  133 12 12
  134 8 8
  139 368 368
  141 125 125
  143 513 513
  144 239 239
  145 16 16
  146 31 31
  153 243 243
  154 27 27
  155 114 114
  156 8 8
  157 74 74
  158 8 8
  159 16 16
  161 8 8
  163 35 35
  165 8 8
  171 16 16
  172 16 16
  173 8 8
  180 51 51
  181 63 63
  182 63 63
  183 8 8
  190 114 114
  191 12 12
  192 43 43
  205 12 12
  217 999 999
  218 55 55
  219 357 357
  220 24 24
  221 8 8
  233 12 12
  245 568 568
  246 27 27
  247 200 200
  248 12 12
  261 86 86
  263 74 74
  265 12 12
  286 8 8
  405 55 55
  407 20 20
  427 12 12
  443 12 12
//