MassBank Record: WA001660



 Dyphylline; LC-ESI-Q; MS; POS; 15 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001660
RECORD_TITLE: Dyphylline; LC-ESI-Q; MS; POS; 15 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$NAME: Diprophylline CH$NAME: Dyphylline CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H14N4O4 CH$EXACT_MASS: 254.10150 CH$SMILES: OCC(O)Cn(c2)c(C(=O)1)c(n2)N(C)C(=O)N(C)1 CH$IUPAC: InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 CH$LINK: CAS 479-18-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 9.740 min AC$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$CHROMATOGRAPHY: SAMPLING_CONE 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0390000000-8896ce67c3c9111b6ca3 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 100 12 12 109 12 12 114 243 243 123 8 8 127 8 8 135 24 24 140 24 24 143 27 27 150 8 8 155 16 16 158 12 12 159 24 24 163 20 20 167 16 16 170 12 12 171 8 8 175 8 8 182 8 8 185 16 16 195 8 8 196 8 8 221 8 8 239 31 31 255 999 999 256 98 98 257 27 27 277 24 24 //