MassBank Record: MSBNK-Waters-WA000330
ACCESSION: MSBNK-Waters-WA000330
RECORD_TITLE: Zopiclone; 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$NAME: Zopiclone
CH$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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-02ai-0930000000-124796da69eec38bcf42
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
112 607 607
114 200 200
115 8 8
127 16 16
130 999 999
131 24 24
132 353 353
133 12 12
139 411 411
140 12 12
141 149 149
153 114 114
154 27 27
155 55 55
157 67 67
159 27 27
163 35 35
165 8 8
172 20 20
180 24 24
181 63 63
182 63 63
183 8 8
190 102 102
191 8 8
192 35 35
217 705 705
218 63 63
219 251 251
220 20 20
239 8 8
245 145 145
246 12 12
247 55 55
263 8 8
268 8 8
367 16 16
411 47 47
413 16 16
427 24 24
429 12 12
//