MassBank Record: MSBNK-Waters-WA000329
ACCESSION: MSBNK-Waters-WA000329
RECORD_TITLE: Zopiclone; LC-ESI-Q; MS; POS; 90 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 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
//