MassBank Record: WA000918



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

ACCESSION: WA000918
RECORD_TITLE: Amitriptyline; 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$NAME: Amitriptyline CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H23N CH$EXACT_MASS: 277.18305 CH$SMILES: CN(C)CCC=C(c21)c(c3)c(ccc3)CCc(cccc2)1 CH$IUPAC: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 CH$LINK: CAS 50-48-6
AC$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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0aor-0940000000-574a10f13f3986b3a7e7 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 103 16 16 105 999 999 106 51 51 115 43 43 117 795 795 118 47 47 129 176 176 130 8 8 132 27 27 141 55 55 142 8 8 146 24 24 153 16 16 155 243 243 156 24 24 165 8 8 178 106 106 179 200 200 180 20 20 191 509 509 192 125 125 193 82 82 194 12 12 203 82 82 204 106 106 205 278 278 206 31 31 207 24 24 216 8 8 217 12 12 218 325 325 219 39 39 231 24 24 233 439 439 234 59 59 278 247 247 279 43 43 //