MassBank Record: MSBNK-Waters-WA000581
ACCESSION: MSBNK-Waters-WA000581
RECORD_TITLE: Desipramine; 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$NAME: Desipramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H22N2
CH$EXACT_MASS: 266.17830
CH$SMILES: CNCCCN(c21)c(c3)c(ccc3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
CH$LINK: CAS
50-47-5
CH$LINK: INCHIKEY
HCYAFALTSJYZDH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022896
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.320 min
AC$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: splash10-0a4i-0590000000-a133ba21920e47d00a9b
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
105 27 27
106 8 8
113 24 24
118 24 24
130 8 8
132 16 16
158 12 12
180 47 47
181 12 12
193 392 392
194 74 74
195 133 133
196 149 149
197 12 12
206 16 16
208 999 999
209 125 125
210 12 12
220 35 35
221 16 16
222 24 24
234 20 20
235 8 8
236 110 110
237 12 12
267 78 78
268 12 12
//
system version 2.2.6-SNAPSHOT