ACCESSION: MSBNK-Waters-WA001171
RECORD_TITLE: Amprenavir; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.10.25)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 161814-49-9
CH$LINK: INCHIKEY YMARZQAQMVYCKC-OEMFJLHTSA-N

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 16.600 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0002-0298340000-d9f870667305a8c04ab2
PK$ANNOTATION: m/z type
  528 [M+Na]+
  544 [M+K]+
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  100 8 8
  116 8 8
  120 55 55
  124 24 24
  127 8 8
  129 39 39
  131 8 8
  134 16 16
  146 94 94
  150 8 8
  156 161 161
  157 12 12
  164 31 31
  176 12 12
  189 24 24
  200 20 20
  202 67 67
  203 12 12
  207 8 8
  208 180 180
  217 8 8
  219 12 12
  225 8 8
  230 8 8
  234 8 8
  237 20 20
  241 137 137
  242 12 12
  243 8 8
  245 999 999
  246 121 121
  247 8 8
  248 8 8
  249 12 12
  255 12 12
  259 12 12
  261 149 149
  263 94 94
  264 8 8
  278 27 27
  281 20 20
  295 39 39
  333 16 16
  349 690 690
  350 55 55
  351 764 764
  352 129 129
  353 12 12
  357 8 8
  362 12 12
  365 12 12
  374 20 20
  375 8 8
  383 12 12
  392 106 106
  393 16 16
  418 674 674
  419 114 114
  420 43 43
  421 8 8
  506 494 494
  507 106 106
  508 39 39
  523 8 8
  528 94 94
  529 31 31
  530 8 8
  544 215 215
  545 39 39
  546 27 27
  547 8 8
  579 8 8
//