MassBank Record: WA000739



 Nortryptyline; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000739
RECORD_TITLE: Nortryptyline; 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: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Nortryptyline CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H21N CH$EXACT_MASS: 263.16740 CH$SMILES: CNCCC=C(c21)c(c3)c(ccc3)CCc(cccc2)1 CH$IUPAC: InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 CH$LINK: CAS 72-69-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.500 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0ce9-0980000000-ab753a9893a72d2d54a4 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 105 870 870 106 39 39 115 8 8 117 733 733 118 35 35 129 78 78 132 12 12 141 27 27 146 31 31 155 212 212 156 20 20 178 55 55 179 94 94 180 8 8 191 333 333 192 55 55 193 27 27 203 8 8 204 27 27 205 141 141 206 12 12 207 31 31 218 145 145 219 20 20 231 16 16 233 999 999 234 157 157 235 12 12 264 725 725 265 110 110 266 8 8 //