MassBank Record: WA000476



 Pizotifen; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000476
RECORD_TITLE: Pizotifen; LC-ESI-Q; MS; POS; 90 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$NAME: Pizotifen CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H21NS CH$EXACT_MASS: 295.13947 CH$SMILES: CN(C4)CCC(C4)=C(c21)c(c3)c(sc3)CCc(cccc2)1 CH$IUPAC: InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3 CH$LINK: CAS 15574-96-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.650 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-016r-0910000000-69dd7a582fb299fb63a2 PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 103 63 63 104 16 16 105 110 110 106 12 12 109 20 20 111 141 141 115 999 999 116 129 129 117 215 215 118 74 74 119 12 12 121 39 39 123 208 208 124 12 12 125 20 20 127 24 24 128 572 572 129 360 360 130 27 27 131 24 24 132 12 12 134 43 43 135 35 35 137 67 67 141 353 353 142 63 63 143 71 71 144 12 12 145 24 24 147 55 55 149 16 16 152 74 74 153 145 145 154 106 106 155 180 180 156 39 39 161 20 20 162 35 35 165 740 740 166 368 368 167 110 110 168 24 24 169 16 16 170 20 20 171 31 31 178 278 278 179 153 153 180 24 24 181 16 16 184 243 243 185 94 94 186 16 16 189 55 55 190 114 114 191 251 251 192 118 118 193 35 35 197 208 208 198 98 98 199 133 133 200 12 12 202 63 63 203 204 204 204 141 141 205 118 118 206 27 27 208 24 24 209 82 82 210 86 86 211 90 90 212 20 20 215 12 12 217 20 20 219 39 39 220 12 12 221 39 39 222 24 24 223 110 110 224 43 43 225 27 27 235 24 24 237 20 20 296 31 31 //