MassBank Record: WA000936



 Buflomedil; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000936
RECORD_TITLE: Buflomedil; LC-ESI-Q; MS; POS; 45 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$NAME: Buflomedil CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H25NO4 CH$EXACT_MASS: 307.17836 CH$SMILES: COc(c1)cc(OC)c(C(=O)CCCN(C2)CCC2)c(OC)1 CH$IUPAC: InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3 CH$LINK: CAS 55837-25-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.670 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000f-0960000000-d81cb509eafbf45c542e PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 140 999 999 141 67 67 177 8 8 181 16 16 195 55 55 209 8 8 221 12 12 237 662 662 238 74 74 239 8 8 290 20 20 308 102 102 309 16 16 //