ACCESSION: MSBNK-Waters-WA000917
RECORD_TITLE: Amitriptyline; 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: 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 75 V, 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-066u-0930000000-424c602ced3e19ae80ff
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  103 106 106
  105 999 999
  106 47 47
  115 337 337
  117 803 803
  118 63 63
  128 47 47
  129 396 396
  130 27 27
  132 31 31
  141 125 125
  142 31 31
  144 12 12
  145 8 8
  146 8 8
  153 74 74
  154 20 20
  155 274 274
  156 27 27
  165 47 47
  166 8 8
  167 12 12
  168 12 12
  178 329 329
  179 345 345
  180 31 31
  189 24 24
  190 78 78
  191 921 921
  192 349 349
  193 129 129
  194 12 12
  202 31 31
  203 541 541
  204 309 309
  205 337 337
  206 35 35
  207 12 12
  215 24 24
  216 31 31
  217 196 196
  218 486 486
  219 55 55
  231 24 24
  233 114 114
  234 12 12
  278 51 51
  279 8 8
//