MassBank Record: WA002695



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

ACCESSION: WA002695
RECORD_TITLE: Ifenprodil; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0901000000-93ac5cb8febb508fcfe4 PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 103 78 78 105 999 999 106 31 31 107 909 909 108 55 55 109 255 255 110 35 35 115 63 63 116 12 12 117 537 537 118 63 63 120 98 98 121 74 74 129 59 59 131 196 196 132 59 59 133 353 353 134 27 27 135 259 259 136 24 24 144 12 12 145 31 31 146 24 24 147 16 16 148 27 27 150 47 47 151 43 43 159 12 12 162 27 27 163 12 12 164 12 12 174 223 223 175 24 24 176 717 717 177 90 90 186 24 24 202 35 35 217 12 12 292 39 39 293 118 118 294 27 27 308 400 400 309 94 94 310 12 12 326 153 153 327 31 31 340 12 12 //