MassBank Record: WA002855



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

ACCESSION: WA002855
RECORD_TITLE: 5-Hydroxypropafenone; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 5-Hydroxypropafenone CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H27NO4 CH$EXACT_MASS: 357.19401 CH$SMILES: CCCNCC(O)COc(c2)c(cc(O)c2)C(=O)CCc(c1)cccc1 CH$IUPAC: InChI=1S/C21H27NO4/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3 CH$LINK: CAS 86384-10-3 CH$LINK: INCHIKEY LUTWDNUXHDYZRA-UHFFFAOYSA-N
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 13.470 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0009000000-49ade9ced2f8dff2525f PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 358 999 999 359 247 247 360 27 27 //