MassBank Record: MSBNK-Waters-WA000331
ACCESSION: MSBNK-Waters-WA000331
RECORD_TITLE: Zopiclone; 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$NAME: Zopiclone
CH$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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014j-0390000000-bd81eaef036e9d869ee1
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
112 78 78
114 24 24
130 176 176
132 59 59
139 196 196
140 8 8
141 63 63
143 12 12
153 20 20
155 8 8
157 35 35
159 16 16
180 12 12
181 24 24
182 20 20
190 39 39
192 12 12
217 999 999
218 78 78
219 329 329
220 35 35
245 501 501
246 35 35
247 188 188
248 20 20
263 27 27
265 12 12
345 12 12
367 12 12
411 82 82
412 8 8
413 31 31
427 16 16
429 8 8
//