MassBank Record: MSBNK-Waters-WA000981
ACCESSION: MSBNK-Waters-WA000981
RECORD_TITLE: Clomipramine; 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$NAME: Clomipramine
CH$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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004l-0090000000-23ae45566e67326476c5
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
125 12 12
130 12 12
144 12 12
158 12 12
178 12 12
179 12 12
180 8 8
191 8 8
192 78 78
193 12 12
194 16 16
195 16 16
204 12 12
206 86 86
207 231 231
208 35 35
209 24 24
212 8 8
214 20 20
217 8 8
218 12 12
220 212 212
221 27 27
224 8 8
227 999 999
228 110 110
229 368 368
230 43 43
232 27 27
233 8 8
234 59 59
235 71 71
236 12 12
242 568 568
243 74 74
244 212 212
245 24 24
250 12 12
254 24 24
256 8 8
270 20 20
272 8 8
315 12 12
//