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MassBank Record: WA001087

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

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

ACCESSION: WA001087
RECORD_TITLE: Mirtazapine; 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$NAME: Mirtazapine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H19N3
CH$EXACT_MASS: 265.15790
CH$SMILES: CN(C4)CC(c21)N(C4)c(n3)c(ccc3)Cc(cccc2)1
CH$IUPAC: InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
CH$LINK: CAS 61337-67-5
CH$LINK: INCHIKEY RONZAEMNMFQXRA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023325

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 11.700 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$SPLASH: splash10-0002-0950000000-3aa4f68a3b8461cb72df
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  107 12 12
  110 20 20
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  165 12 12
  167 31 31
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  180 47 47
  181 16 16
  182 39 39
  192 27 27
  194 20 20
  195 999 999
  196 102 102
  206 12 12
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  208 12 12
  209 259 259
  210 27 27
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  223 82 82
  235 67 67
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  239 74 74
  264 16 16
  266 188 188
  267 31 31
//

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