MassBank Record: WA001432



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

ACCESSION: WA001432
RECORD_TITLE: Lisinopril; 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$NAME: Lisinopril CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H31N3O5 CH$EXACT_MASS: 405.22637 CH$SMILES: NCCCCC(NC(C(O)=O)CCc(c2)cccc2)C(=O)N(C1)C(CC1)C(O)=O CH$IUPAC: InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 CH$LINK: CAS 76547-98-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 10.540 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: splash10-0a4j-0393600000-e8c026f10adc67286e11 PK$NUM_PEAK: 74 PK$PEAK: m/z int. rel.int. 103 12 12 106 12 12 107 27 27 109 20 20 110 43 43 111 12 12 114 39 39 116 82 82 118 31 31 120 12 12 122 12 12 123 8 8 127 8 8 130 47 47 131 12 12 133 94 94 134 16 16 136 8 8 138 55 55 140 12 12 141 8 8 145 8 8 148 12 12 151 8 8 154 8 8 156 8 8 186 8 8 193 35 35 200 8 8 202 39 39 215 12 12 217 16 16 227 43 43 229 12 12 233 8 8 241 12 12 245 59 59 246 999 999 247 102 102 255 8 8 263 219 219 264 47 47 265 12 12 278 12 12 279 8 8 291 141 141 292 43 43 309 309 309 310 43 43 313 35 35 322 31 31 331 24 24 333 8 8 340 16 16 342 27 27 343 43 43 344 8 8 360 141 141 361 16 16 362 24 24 388 8 8 389 51 51 406 893 893 407 161 161 408 12 12 414 8 8 415 27 27 416 8 8 428 121 121 429 43 43 444 24 24 466 8 8 483 12 12 488 8 8 //