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MassBank Record: WA000830

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

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

ACCESSION: WA000830
RECORD_TITLE: Doxapram; 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$NAME: Doxapram
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H30N2O2
CH$EXACT_MASS: 378.23073
CH$SMILES: C(c(c4)cccc4)(c(c3)cccc3)(C(=O)1)C(CCN(C2)CCOC2)CN(CC)1
CH$IUPAC: InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3
CH$LINK: CAS 309-29-5
CH$LINK: INCHIKEY XFDJYSQDBULQSI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2022963

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 12.700 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$SPLASH: splash10-002f-0696000000-41cedeb12be1ade0016a
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  100 78 78
  105 24 24
  117 71 71
  129 180 180
  130 8 8
  143 404 404
  144 31 31
  157 20 20
  167 333 333
  168 39 39
  186 8 8
  188 8 8
  195 27 27
  207 39 39
  214 16 16
  219 12 12
  264 451 451
  265 63 63
  266 8 8
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  292 885 885
  293 165 165
  294 24 24
  306 12 12
  379 999 999
  380 223 223
  381 24 24
  401 16 16
  417 20 20
//

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