MassBank Record: MSBNK-Waters-WA001086
ACCESSION: MSBNK-Waters-WA001086
RECORD_TITLE: Mirtazapine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Mirtazapine
CH$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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0920000000-c1f245b15d5b723b8ab9
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
105 20 20
107 24 24
110 78 78
115 55 55
117 24 24
119 31 31
121 12 12
129 12 12
130 20 20
131 35 35
133 51 51
141 12 12
144 43 43
146 12 12
153 16 16
165 31 31
166 12 12
167 63 63
168 43 43
169 12 12
178 20 20
180 121 121
181 39 39
182 63 63
183 12 12
192 35 35
193 12 12
194 125 125
195 999 999
196 102 102
206 27 27
207 51 51
208 24 24
209 200 200
210 27 27
218 12 12
219 35 35
220 20 20
221 47 47
223 55 55
233 12 12
235 39 39
239 31 31
266 31 31
//