MassBank Record: WA001168



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

ACCESSION: WA001168
RECORD_TITLE: Amprenavir; LC-ESI-Q; MS; POS; 90 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 90 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0910000000-c68ddad234fc10c004d2 PK$ANNOTATION: m/z type 528 [M+Na]+ 544 [M+K]+ PK$NUM_PEAK: 72 PK$PEAK: m/z int. rel.int. 100 51 51 101 8 8 103 110 110 105 27 27 106 78 78 108 999 999 109 55 55 110 31 31 113 12 12 115 51 51 116 12 12 117 82 82 120 752 752 121 31 31 127 16 16 128 82 82 129 686 686 130 39 39 131 78 78 132 27 27 133 349 349 134 102 102 135 8 8 144 51 51 145 12 12 146 353 353 147 35 35 149 24 24 150 8 8 156 545 545 157 27 27 158 39 39 161 24 24 164 67 67 168 8 8 169 43 43 170 12 12 172 12 12 176 59 59 188 8 8 189 16 16 190 12 12 200 24 24 202 176 176 203 16 16 207 16 16 208 114 114 209 8 8 218 8 8 220 12 12 237 20 20 241 24 24 245 102 102 246 8 8 249 8 8 261 31 31 263 51 51 264 12 12 295 16 16 349 106 106 351 67 67 352 12 12 414 16 16 418 31 31 456 8 8 506 27 27 523 12 12 528 118 118 529 20 20 544 137 137 545 31 31 546 16 16 //