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MassBank Record: WA000499

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

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

ACCESSION: WA000499
RECORD_TITLE: Medifoxamine; 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$NAME: Medifoxamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H19NO2
CH$EXACT_MASS: 257.14158
CH$SMILES: CN(C)CC(Oc(c2)cccc2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
CH$LINK: CAS 32359-34-5
CH$LINK: INCHIKEY QNMGHBMGNRQPNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80186078

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 13.460 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$SPLASH: splash10-03di-0900000000-376033201036d34bebca
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  108 20 20
  119 262 262
  120 16 16
  121 24 24
  149 196 196
  150 12 12
  164 999 999
  165 67 67
  258 16 16
//

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