MassBank Record: MSBNK-Waters-WA000580
ACCESSION: MSBNK-Waters-WA000580
RECORD_TITLE: Desipramine; 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$NAME: Desipramine
CH$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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0940000000-27235cb439e06eea109e
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
105 16 16
106 12 12
115 12 12
117 12 12
118 43 43
130 20 20
132 20 20
144 8 8
158 8 8
166 12 12
167 20 20
178 16 16
179 12 12
180 145 145
181 43 43
192 20 20
193 999 999
194 259 259
195 82 82
196 63 63
206 39 39
207 16 16
208 529 529
209 71 71
210 8 8
220 63 63
221 12 12
222 12 12
234 20 20
236 16 16
267 35 35
268 8 8
//
system version 2.2.6-SNAPSHOT