MassBank Record: WA001169



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

ACCESSION: WA001169
RECORD_TITLE: Amprenavir; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.10.25)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Amprenavir CH$COMPOUND_CLASS: N/A CH$FORMULA: C25H35N3O6S CH$EXACT_MASS: 505.22466 CH$SMILES: CC(C)CN(CC(O)C(NC(=O)OC(C3)COC3)Cc(c2)cccc2)S(=O)(=O)c(c1)ccc(N)c1 CH$IUPAC: InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1 CH$LINK: CAS 161814-49-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 16.600 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$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0920000000-87d16458d0deb86b1518 PK$ANNOTATION: m/z type 528 [M+Na]+ 544 [M+K]+ PK$NUM_PEAK: 78 PK$PEAK: m/z int. rel.int. 100 102 102 103 24 24 105 24 24 106 8 8 108 599 599 109 27 27 113 27 27 114 8 8 115 24 24 116 16 16 117 43 43 120 560 560 121 20 20 127 27 27 128 8 8 129 439 439 130 20 20 131 78 78 132 8 8 133 184 184 134 106 106 135 8 8 144 24 24 146 313 313 147 31 31 149 12 12 150 27 27 153 8 8 156 999 999 157 55 55 158 63 63 159 8 8 161 20 20 164 110 110 165 8 8 169 12 12 172 24 24 176 47 47 189 59 59 190 12 12 200 35 35 202 255 255 203 27 27 205 16 16 207 24 24 208 204 204 209 12 12 218 16 16 220 12 12 230 12 12 234 8 8 235 8 8 237 47 47 238 8 8 241 74 74 245 278 278 246 31 31 249 20 20 261 82 82 263 129 129 264 20 20 281 20 20 295 16 16 349 227 227 350 27 27 351 161 161 352 24 24 392 20 20 418 67 67 419 16 16 506 35 35 507 12 12 523 8 8 528 106 106 529 24 24 544 118 118 545 31 31 546 12 12 //