MassBank Record: WA002382



 Perindoprilat (diacid form); LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002382
RECORD_TITLE: Perindoprilat (diacid form); LC-ESI-Q; MS; POS; 75 V, 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$NAME: Perindoprilat (diacid form) CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H28N2O5 CH$EXACT_MASS: 340.19982 CH$SMILES: CCCC(C(O)=O)NC(C)C(=O)N(C(C(O)=O)1)C([H])(C2)C([H])(CCC2)C1 CH$IUPAC: InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1 CH$LINK: CAS 95153-31-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 10.700 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, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0911000000-c7054c8cd62cd28537c1 PK$NUM_PEAK: 77 PK$PEAK: m/z int. rel.int. 102 12 12 104 35 35 105 27 27 107 98 98 109 24 24 110 16 16 111 12 12 112 12 12 114 35 35 116 71 71 117 43 43 122 55 55 124 999 999 125 71 71 127 35 35 129 78 78 131 67 67 132 16 16 133 55 55 135 27 27 139 16 16 144 180 180 145 39 39 146 12 12 147 20 20 148 12 12 149 63 63 151 31 31 152 20 20 153 71 71 154 12 12 159 27 27 160 16 16 161 20 20 165 12 12 166 12 12 168 16 16 170 270 270 171 51 51 175 24 24 176 20 20 177 27 27 178 16 16 179 12 12 184 39 39 185 27 27 189 24 24 191 12 12 192 39 39 194 12 12 195 12 12 197 20 20 207 43 43 208 24 24 212 20 20 213 12 12 215 71 71 216 12 12 217 16 16 219 12 12 230 12 12 233 24 24 241 27 27 249 12 12 251 78 78 259 63 63 260 16 16 295 71 71 296 12 12 299 12 12 303 43 43 304 12 12 339 71 71 341 172 172 342 20 20 347 24 24 351 12 12 //