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MassBank Record: WA000600

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

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

ACCESSION: WA000600
RECORD_TITLE: Viloxazine; 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$NAME: Viloxazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H19NO3
CH$EXACT_MASS: 237.13649
CH$SMILES: CCOc(c2)c(ccc2)OCC(C1)OCCN1
CH$IUPAC: InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3
CH$LINK: CAS 46817-91-8
CH$LINK: INCHIKEY YWPHCCPCQOJSGZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6057900

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 12.070 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$SPLASH: splash10-0f79-0790000000-f4f119f989d4cecab957
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  100 811 811
  101 47 47
  105 8 8
  118 8 8
  121 12 12
  123 12 12
  133 8 8
  149 16 16
  151 20 20
  177 39 39
  210 8 8
  238 999 999
  239 86 86
  240 12 12
  260 16 16
//

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