MassBank Record: MSBNK-Waters-WA000980
ACCESSION: MSBNK-Waters-WA000980
RECORD_TITLE: Clomipramine; 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$NAME: Clomipramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H23ClN2
CH$EXACT_MASS: 314.15498
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
CH$LINK: CAS
303-49-1
CH$LINK: INCHIKEY
GDLIGKIOYRNHDA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022844
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.800 min
AC$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: splash10-004i-0290000000-1c848be444a7f8d65ba8
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
103 8 8
115 8 8
116 8 8
117 16 16
125 16 16
130 20 20
144 8 8
158 8 8
165 90 90
166 16 16
167 16 16
177 8 8
178 27 27
179 35 35
180 24 24
181 8 8
190 12 12
191 63 63
192 415 415
193 71 71
194 24 24
201 31 31
203 12 12
204 39 39
205 20 20
206 180 180
207 192 192
208 39 39
209 16 16
212 20 20
214 31 31
216 12 12
217 12 12
218 20 20
220 121 121
221 16 16
224 8 8
226 43 43
227 999 999
228 141 141
229 333 333
230 47 47
232 27 27
233 12 12
234 55 55
235 20 20
240 12 12
242 165 165
243 24 24
244 51 51
245 8 8
250 8 8
254 31 31
256 8 8
//
system version 2.2.6-SNAPSHOT