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MassBank Record: MSBNK-Waters-WA000497

Medifoxamine; LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: MSBNK-Waters-WA000497
RECORD_TITLE: Medifoxamine; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0a4i-0900000000-48c1dc16bef999894500
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  103 161 161
  104 27 27
  105 78 78
  106 78 78
  107 721 721
  108 999 999
  109 20 20
  116 298 298
  118 309 309
  119 168 168
  120 204 204
  121 94 94
  130 82 82
  131 106 106
  132 278 278
  133 47 47
  134 133 133
  144 78 78
  146 74 74
  148 298 298
  149 427 427
  150 20 20
  152 27 27
  162 12 12
  164 239 239
  165 16 16
  258 110 110
//

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