ACCESSION: MSBNK-Waters-WA000599
RECORD_TITLE: Viloxazine; 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$NAME: Viloxazine
CH$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 60 V

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

PK$SPLASH: splash10-0udi-0910000000-69205f6e0c8066c74baf
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 51 51
  103 39 39
  105 51 51
  107 16 16
  109 20 20
  111 20 20
  118 16 16
  119 8 8
  121 121 121
  122 16 16
  123 63 63
  131 12 12
  133 12 12
  134 12 12
  135 12 12
  136 12 12
  149 35 35
  151 24 24
  177 35 35
  238 290 290
  239 20 20
  260 12 12
//