MassBank Record: MSBNK-Waters-WA000794
ACCESSION: MSBNK-Waters-WA000794
RECORD_TITLE: Imipramine; 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$NAME: Imipramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H24N2
CH$EXACT_MASS: 280.19395
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
CH$LINK: CAS
50-49-7
CH$LINK: INCHIKEY
BCGWQEUPMDMJNV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1043881
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.600 min
AC$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: splash10-0006-0930000000-fb4e8ef62c0fcefb8a95
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
103 8 8
105 12 12
106 16 16
115 20 20
117 20 20
118 16 16
130 27 27
143 8 8
144 8 8
165 47 47
166 27 27
167 67 67
178 24 24
179 16 16
180 47 47
181 12 12
191 16 16
192 153 153
193 999 999
194 153 153
195 12 12
204 12 12
206 47 47
207 24 24
208 219 219
209 20 20
218 12 12
220 43 43
234 16 16
236 8 8
281 196 196
282 31 31
//