ACCESSION: MSBNK-Waters-WA000598
RECORD_TITLE: Viloxazine; 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$NAME: Viloxazine
CH$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 75 V

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

PK$SPLASH: splash10-0uki-0910000000-287962e240dfd405ac25
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 59 59
  102 8 8
  103 298 298
  104 8 8
  105 286 286
  107 98 98
  108 47 47
  109 51 51
  110 47 47
  111 82 82
  115 20 20
  118 302 302
  119 27 27
  121 791 791
  122 192 192
  123 204 204
  124 8 8
  131 35 35
  132 16 16
  133 20 20
  134 86 86
  135 16 16
  136 71 71
  144 24 24
  147 12 12
  149 39 39
  150 8 8
  151 16 16
  177 12 12
  238 764 764
  239 43 43
  260 43 43
  276 12 12
//