MassBank Record: WA000319



 Venlafaxine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000319
RECORD_TITLE: Venlafaxine; 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: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Venlafaxine CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H27NO2 CH$EXACT_MASS: 277.20418 CH$SMILES: COc(c2)ccc(c2)C(CN(C)C)C(O)(C1)CCCC1 CH$IUPAC: InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 CH$LINK: CAS 93413-69-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.320 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0900000000-500f21dbff8d2ee956d4 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 105 16 16 107 63 63 109 24 24 115 8 8 117 8 8 119 24 24 121 999 999 122 63 63 123 8 8 129 8 8 132 39 39 133 12 12 135 63 63 141 8 8 144 12 12 145 16 16 147 282 282 148 27 27 152 12 12 158 20 20 159 98 98 160 8 8 161 12 12 162 12 12 163 20 20 173 102 102 174 16 16 177 24 24 178 27 27 183 8 8 187 8 8 215 51 51 260 27 27 278 16 16 //