MassBank Record: WA001173



 Amprenavir; LC-ESI-Q; MS; POS; 15 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001173
RECORD_TITLE: Amprenavir; LC-ESI-Q; MS; POS; 15 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 15 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0106090000-975999246fcee99b09e0 PK$ANNOTATION: m/z type 528 [M+Na]+ 544 [M+K]+ PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 115 114 114 116 8 8 124 168 168 134 8 8 158 8 8 162 12 12 225 24 24 249 27 27 266 8 8 294 8 8 295 59 59 349 478 478 350 24 24 351 580 580 352 67 67 353 8 8 365 12 12 366 47 47 367 16 16 383 12 12 506 999 999 507 208 208 508 63 63 509 8 8 520 12 12 523 118 118 524 31 31 528 27 27 537 8 8 544 67 67 545 16 16 546 8 8 574 12 12 579 172 172 580 43 43 581 8 8 //