MassBank Record: WA002827

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Zopiclone N-oxide; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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: 404.09998000000001638909452594816684722900390625
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: COMPTOX DTXSID20962959
CH$LINK: INCHIKEY IPTIKKTXLHVRKN-UHFFFAOYSA-N

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: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: RETENTION_TIME 12.010 min
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
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  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
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  245 509 509
  246 43 43
  247 176 176
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  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
//