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MassBank Record: WA000508

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

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

ACCESSION: WA000508
RECORD_TITLE: Fenspiride; 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$NAME: Fenspiride
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H20N2O2
CH$EXACT_MASS: 260.15248
CH$SMILES: O=C(N3)OC(C3)(C1)CCN(CCc(c2)cccc2)C1
CH$IUPAC: InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
CH$LINK: CAS 5053-06-5
CH$LINK: INCHIKEY FVNFBBAOMBJTST-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023048

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 10.380 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$SPLASH: splash10-0bt9-0970000000-4f33dc474906a2bb94d4
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  105 999 999
  106 78 78
  128 16 16
  134 39 39
  139 16 16
  146 43 43
  157 16 16
  169 63 63
  200 20 20
  232 16 16
  261 823 823
  262 137 137
  263 12 12
//

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