MassBank Record: MSBNK-Waters-WA002826
ACCESSION: MSBNK-Waters-WA002826
RECORD_TITLE: Zopiclone N-oxide; 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$NAME: Zopiclone N-oxide
CH$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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00kf-0970000000-8ab7a3c410c820018c46
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
100 129 129
101 31 31
102 8 8
112 114 114
114 35 35
116 16 16
117 8 8
120 8 8
127 39 39
129 12 12
130 255 255
132 78 78
139 192 192
141 67 67
143 999 999
144 482 482
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146 20 20
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155 31 31
157 47 47
159 12 12
161 8 8
163 12 12
180 31 31
181 27 27
182 31 31
190 55 55
192 16 16
205 8 8
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218 47 47
219 357 357
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233 12 12
235 8 8
245 423 423
246 27 27
247 137 137
248 12 12
261 161 161
262 8 8
263 94 94
264 8 8
265 12 12
405 90 90
406 8 8
407 35 35
427 8 8
//
system version 2.2.6-SNAPSHOT