MassBank Record: WA000318



 Venlafaxine; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000318
RECORD_TITLE: Venlafaxine; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0900000000-9b7eeb4a286c3ab84517 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 103 16 16 105 74 74 106 24 24 107 59 59 108 8 8 109 24 24 115 51 51 116 16 16 117 31 31 118 55 55 119 47 47 121 999 999 122 67 67 128 16 16 129 20 20 130 8 8 131 24 24 132 74 74 133 20 20 135 59 59 141 24 24 142 8 8 143 8 8 144 35 35 145 27 27 146 8 8 147 172 172 148 20 20 155 8 8 158 59 59 159 63 63 160 12 12 161 8 8 162 39 39 163 20 20 164 8 8 171 8 8 173 55 55 174 12 12 177 16 16 178 8 8 //