MassBank Record: MSBNK-Waters-WA001087
ACCESSION: MSBNK-Waters-WA001087
RECORD_TITLE: Mirtazapine; 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$NAME: Mirtazapine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H19N3
CH$EXACT_MASS: 265.15790
CH$SMILES: CN(C4)CC(c21)N(C4)c(n3)c(ccc3)Cc(cccc2)1
CH$IUPAC: InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
CH$LINK: CAS
61337-67-5
CH$LINK: INCHIKEY
RONZAEMNMFQXRA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0023325
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.700 min
AC$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: splash10-0002-0950000000-3aa4f68a3b8461cb72df
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
107 12 12
110 20 20
115 16 16
133 16 16
144 16 16
165 12 12
167 31 31
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180 47 47
181 16 16
182 39 39
192 27 27
194 20 20
195 999 999
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210 27 27
218 12 12
220 12 12
221 20 20
223 82 82
235 67 67
236 12 12
237 12 12
239 74 74
264 16 16
266 188 188
267 31 31
//