MassBank Record: MSBNK-Waters-WA002488
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
//
system version 2.2.6-SNAPSHOT