MassBank Record: WA001334



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

ACCESSION: WA001334
RECORD_TITLE: Bamifylline; 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$NAME: Bamifylline CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H27N5O3 CH$EXACT_MASS: 385.21139 CH$SMILES: OCCN(CC)CCn(c(Cc(c3)cccc3)2)c(C(=O)1)c(n2)N(C)C(=O)N(C)1 CH$IUPAC: InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3 CH$LINK: CAS 2016-63-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.280 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: splash10-0a4i-0900000000-10a4712c996e87e86bf0 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 102 27 27 103 94 94 105 999 999 106 86 86 107 24 24 108 35 35 109 8 8 115 12 12 116 24 24 117 27 27 118 16 16 120 8 8 123 43 43 124 8 8 129 8 8 130 8 8 134 16 16 136 8 8 143 8 8 144 24 24 148 8 8 154 8 8 156 8 8 162 12 12 171 12 12 184 8 8 193 59 59 194 8 8 212 16 16 240 12 12 281 8 8 297 16 16 //