MassBank Record: WA002853



 5-Hydroxypropafenone; LC-ESI-Q; MS; POS; 45 V, 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002853
RECORD_TITLE: 5-Hydroxypropafenone; LC-ESI-Q; MS; POS; 45 V, 75 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$CHROMATOGRAPHY: SAMPLING_CONE 45 V, 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0903000000-ed73ee7085e1d74bb974 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 105 16 16 114 12 12 116 999 999 117 59 59 118 8 8 123 8 8 129 8 8 281 31 31 340 43 43 341 8 8 358 255 255 359 59 59 360 8 8 //