MassBank Record: MSBNK-Waters-WA002487
ACCESSION: MSBNK-Waters-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
//
system version 2.2.6-SNAPSHOT