MassBank Record: WA000828



 Doxapram; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 309-29-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.700 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$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 16 157 51 51 158 24 24 160 8 8 165 43 43 167 533 533 168 63 63 169 8 8 172 24 24 173 12 12 178 20 20 179 16 16 186 35 35 188 16 16 191 8 8 192 8 8 193 12 12 195 16 16 200 24 24 201 27 27 204 12 12 207 12 12 210 8 8 214 8 8 219 8 8 264 74 74 265 12 12 292 63 63 293 8 8 379 31 31 //