ACCESSION: MSBNK-Waters-WA000737
RECORD_TITLE: Nortryptyline; 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$NAME: Nortryptyline
CH$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$LINK: CAS 72-69-5
CH$LINK: INCHIKEY PHVGLTMQBUFIQQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023384

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$SPLASH: splash10-0lfu-0930000000-f03b5ae46e12f26c67b3
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  103 180 180
  105 909 909
  106 39 39
  115 541 541
  116 8 8
  117 713 713
  118 90 90
  127 16 16
  128 145 145
  129 439 439
  130 31 31
  131 12 12
  132 20 20
  141 153 153
  142 39 39
  144 24 24
  145 20 20
  152 8 8
  153 114 114
  154 39 39
  155 247 247
  156 27 27
  158 12 12
  165 90 90
  166 20 20
  167 12 12
  168 16 16
  178 474 474
  179 329 329
  180 35 35
  189 59 59
  190 141 141
  191 999 999
  192 372 372
  193 94 94
  194 8 8
  202 86 86
  203 725 725
  204 349 349
  205 282 282
  206 35 35
  207 8 8
  215 39 39
  216 39 39
  217 298 298
  218 392 392
  219 47 47
  231 16 16
  233 71 71
  234 8 8
  264 47 47
//