MassBank Record: WA002830



 Zopiclone N-oxide; LC-ESI-Q; MS; POS; 15 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002830
RECORD_TITLE: Zopiclone N-oxide; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (2007.08.01, 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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0000900000-ff4bdcc32982df356ece PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 143 16 16 405 999 999 406 110 110 407 372 372 408 35 35 446 24 24 448 12 12 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)