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MassBank Record: WA000581

Desipramine; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: 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
//

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