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MassBank Record: MSBNK-Waters-WA000498

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

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

ACCESSION: MSBNK-Waters-WA000498
RECORD_TITLE: Medifoxamine; 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$NAME: Medifoxamine
CH$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 60 V

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

PK$SPLASH: splash10-07bb-0900000000-93917555add4300e298f
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  103 51 51
  105 35 35
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  118 20 20
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  120 59 59
  121 129 129
  122 12 12
  131 31 31
  132 200 200
  134 35 35
  144 16 16
  146 20 20
  148 71 71
  149 999 999
  150 67 67
  164 784 784
  165 55 55
  258 35 35
//

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