MassBank Record: WA000329



 Zopiclone; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000329
RECORD_TITLE: Zopiclone; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Zopiclone CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H17ClN6O3 CH$EXACT_MASS: 388.10507 CH$SMILES: CN(C4)CCN(C4)C(=O)OC(c21)N(c(c3)ncc(Cl)c3)C(=O)c(nccn2)1 CH$IUPAC: InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3 CH$LINK: CAS 43200-80-2 CH$LINK: INCHIKEY GBBSUAFBMRNDJC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041155
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.510 min AC$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: splash10-01q9-0900000000-dc018d4cc574aabb390e PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 100 8 8 103 20 20 104 8 8 112 905 905 113 12 12 114 309 309 115 12 12 117 12 12 121 16 16 127 39 39 128 20 20 130 999 999 131 27 27 132 333 333 133 12 12 136 8 8 139 219 219 141 82 82 144 8 8 145 8 8 153 118 118 154 43 43 155 74 74 156 8 8 157 24 24 159 8 8 163 35 35 164 8 8 165 12 12 171 8 8 172 16 16 180 12 12 181 47 47 182 39 39 183 8 8 190 59 59 192 24 24 217 212 212 218 16 16 219 71 71 245 20 20 247 8 8 411 27 27 413 12 12 427 31 31 429 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)