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MassBank Record: WA002054

Moclobemide; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA002054
RECORD_TITLE: Moclobemide; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Moclobemide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H17ClN2O2
CH$EXACT_MASS: 268.09786
CH$SMILES: Clc(c2)ccc(c2)C(=O)NCCN(C1)CCOC1
CH$IUPAC: InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
CH$LINK: CAS 71320-77-9
CH$LINK: INCHIKEY YHXISWVBGDMDLQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9040554

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 11.190 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 45 V

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

PK$SPLASH: splash10-001i-0910000000-270ca87180d14f1dd156
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  114 47 47
  139 55 55
  141 16 16
  182 999 999
  183 74 74
  184 360 360
  185 27 27
  269 172 172
  270 16 16
  271 63 63
//

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