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MassBank Record: WA000738

Nortryptyline; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000738
RECORD_TITLE: Nortryptyline; 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$NAME: Nortryptyline
CH$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 60 V

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

PK$SPLASH: splash10-0aor-0930000000-3e2d5534a2b1c3322262
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  103 39 39
  105 999 999
  106 47 47
  115 90 90
  117 764 764
  118 43 43
  128 8 8
  129 227 227
  130 16 16
  132 12 12
  141 67 67
  142 12 12
  146 12 12
  153 27 27
  155 255 255
  156 24 24
  165 12 12
  167 8 8
  178 133 133
  179 227 227
  180 20 20
  190 12 12
  191 556 556
  192 161 161
  193 78 78
  194 8 8
  203 149 149
  204 141 141
  205 302 302
  206 35 35
  207 20 20
  216 12 12
  217 35 35
  218 360 360
  219 47 47
  231 24 24
  233 298 298
  234 43 43
  264 102 102
  265 16 16
//

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