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MassBank Record: WA000794

Imipramine; LC-ESI-Q; MS; POS; 90 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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
//

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