MassBank Record: MSBNK-Waters-WA000686
ACCESSION: MSBNK-Waters-WA000686
RECORD_TITLE: Propafenone; LC-ESI-Q; MS; POS; 60 V, 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Propafenone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H27NO3
CH$EXACT_MASS: 341.19909
CH$SMILES: CCCNCC(O)COc(c2)c(ccc2)C(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
CH$LINK: CAS
54063-53-5
CH$LINK: INCHIKEY
JWHAUXFOSRPERK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9045184
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.600 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V, 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0900000000-092adae8e5da47dff541
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
105 51 51
107 8 8
113 8 8
114 16 16
115 8 8
116 999 999
117 74 74
129 12 12
131 8 8
133 12 12
161 12 12
265 8 8
324 8 8
342 59 59
343 12 12
//