MassBank Record: MSBNK-Waters-WA001073
ACCESSION: MSBNK-Waters-WA001073
RECORD_TITLE: Mianserin; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Mianserin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H20N2
CH$EXACT_MASS: 264.16265
CH$SMILES: CN(C4)CC(c21)N(C4)c(c3)c(ccc3)Cc(cccc2)1
CH$IUPAC: InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
CH$LINK: CAS
24219-97-4
CH$LINK: INCHIKEY
UEQUQVLFIPOEMF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6023317
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.200 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0190000000-cadf62c2cdda208bec87
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
117 8 8
118 55 55
120 16 16
132 12 12
144 8 8
146 35 35
148 20 20
158 12 12
160 8 8
161 31 31
172 12 12
174 12 12
179 8 8
194 12 12
206 12 12
208 396 396
209 55 55
210 8 8
220 16 16
222 55 55
223 8 8
234 35 35
235 8 8
236 8 8
250 39 39
251 27 27
263 149 149
264 8 8
265 999 999
266 172 172
267 12 12
279 16 16
//
system version 2.2.8-SNAPSHOT