MassBank Record: MSBNK-Waters-WA002825
ACCESSION: MSBNK-Waters-WA002825
RECORD_TITLE: Zopiclone N-oxide; 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$NAME: Zopiclone N-oxide
CH$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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-015c-0940000000-e25e3f9b93d51c392eac
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
100 110 110
101 24 24
102 8 8
103 12 12
112 564 564
114 180 180
115 8 8
116 8 8
117 12 12
119 12 12
127 35 35
128 8 8
129 12 12
130 972 972
131 8 8
132 329 329
133 12 12
134 8 8
139 368 368
141 125 125
143 513 513
144 239 239
145 16 16
146 31 31
153 243 243
154 27 27
155 114 114
156 8 8
157 74 74
158 8 8
159 16 16
161 8 8
163 35 35
165 8 8
171 16 16
172 16 16
173 8 8
180 51 51
181 63 63
182 63 63
183 8 8
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191 12 12
192 43 43
205 12 12
217 999 999
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219 357 357
220 24 24
221 8 8
233 12 12
245 568 568
246 27 27
247 200 200
248 12 12
261 86 86
263 74 74
265 12 12
286 8 8
405 55 55
407 20 20
427 12 12
443 12 12
//