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MassBank Record: WA002487

Sildenafil; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: WA002487
RECORD_TITLE: Sildenafil; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0ufr-0900800000-5e2c77dcfb293f7c08a9
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 71 71
  108 12 12
  126 12 12
  163 16 16
  283 20 20
  311 27 27
  312 12 12
  475 697 697
  476 196 196
  477 59 59
  478 12 12
  497 55 55
  498 12 12
  513 31 31
  514 12 12
  515 12 12
//

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