ACCESSION: MSBNK-Waters-WA000828
RECORD_TITLE: Doxapram; 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$NAME: Doxapram
CH$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 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00or-0900000000-55dbc44c7889e7a70216
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  100 149 149
  101 8 8
  103 24 24
  105 235 235
  106 12 12
  110 20 20
  112 8 8
  115 71 71
  117 200 200
  118 16 16
  128 262 262
  129 999 999
  130 67 67
  131 27 27
  132 20 20
  140 8 8
  141 39 39
  143 548 548
  144 59 59
  145 20 20
  152 27 27
  155 16 16
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  158 24 24
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  204 12 12
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  219 8 8
  264 74 74
  265 12 12
  292 63 63
  293 8 8
  379 31 31
//