ACCESSION: MSBNK-Waters-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: 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 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
//