MassBank MassBank Search Contents Download

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)

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: CC BY-NC

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$LINK: CAS 50-48-6
CH$LINK: INCHIKEY KRMDCWKBEZIMAB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022594

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 14.500 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

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
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze