MassBank Record: MSBNK-Waters-WA000599
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
//