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MassBank Record: WA001172

Amprenavir; LC-ESI-Q; MS; POS; 30 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001172
RECORD_TITLE: Amprenavir; LC-ESI-Q; MS; POS; 30 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 30 V

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

PK$SPLASH: splash10-0a4i-0007190000-bee14f7d076fc5287f79
PK$ANNOTATION: m/z type
  528 [M+Na]+
  544 [M+K]+
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  115 39 39
  124 94 94
  157 12 12
  208 12 12
  225 24 24
  245 43 43
  295 51 51
  349 529 529
  350 55 55
  351 595 595
  352 82 82
  353 8 8
  365 16 16
  383 12 12
  392 8 8
  418 282 282
  419 63 63
  420 12 12
  506 999 999
  507 208 208
  508 63 63
  509 8 8
  520 12 12
  523 27 27
  528 31 31
  529 8 8
  544 121 121
  545 24 24
  546 20 20
  579 86 86
  580 24 24
  581 8 8
//

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