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MassBank Record: WA002909

N-Desmethylmirtazapine; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: WA002909
RECORD_TITLE: N-Desmethylmirtazapine; 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$NAME: N-Desmethylmirtazapine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H17N3
CH$EXACT_MASS: 251.14225
CH$SMILES: c(c4)cc(C1)c(n4)N(C3)C([H])(CNC3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C16H17N3/c1-2-6-14-12(4-1)10-13-5-3-7-18-16(13)19-9-8-17-11-15(14)19/h1-7,15,17H,8-11H2/t15-/m1/s1
CH$LINK: CAS 61337-68-6
CH$LINK: INCHIKEY FGLAMNFOHWVQOH-OAHLLOKOSA-N
CH$LINK: COMPTOX DTXSID001009942

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 11.600 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$SPLASH: splash10-0002-0940000000-9d509e3a3025a8adf7c8
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
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//

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