MassBank Record: WA002697



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

ACCESSION: WA002697
RECORD_TITLE: Ifenprodil; 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$NAME: Ifenprodil CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H27NO2 CH$EXACT_MASS: 325.20418 CH$SMILES: Oc(c3)ccc(c3)C(O)C(C)N(C2)CCC(C2)Cc(c1)cccc1 CH$IUPAC: InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3 CH$LINK: CAS 23210-56-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.050 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: splash10-056r-0309000000-9fb0f0140abba8c69408 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 105 16 16 133 47 47 135 31 31 151 78 78 174 39 39 176 498 498 177 59 59 217 12 12 232 24 24 308 999 999 309 223 223 310 24 24 326 803 803 327 184 184 328 24 24 340 43 43 //