ACCESSION: MSBNK-Waters-WA002488
RECORD_TITLE: Sildenafil; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Sildenafil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₀N₆O₄S
CH$EXACT_MASS: 474.20492
CH$SMILES: CCOc(c4)c(cc(c4)S(=O)(=O)N(C3)CCN(C)C3)C(N1)=Nc(c(CCC)2)c(n(C)n2)C(=O)1
CH$IUPAC: InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
CH$LINK: CAS 139755-83-2
CH$LINK: INCHIKEY BNRNXUUZRGQAQC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023579

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 13.640 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$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004i-0100900000-56900a8b658e716c26e5
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  100 157 157
  101 16 16
  109 12 12
  132 16 16
  475 999 999
  476 294 294
  477 94 94
  478 16 16
  497 31 31
  513 31 31
  514 12 12
//