MassBank Record: MSBNK-Waters-WA000597
ACCESSION: MSBNK-Waters-WA000597
RECORD_TITLE: Viloxazine; LC-ESI-Q; MS; POS; 90 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00y0-0930000000-4829de4b0b9986c7bc28
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
100 227 227
102 12 12
103 215 215
104 8 8
105 259 259
106 59 59
107 39 39
108 39 39
109 12 12
110 51 51
111 31 31
114 20 20
118 642 642
119 55 55
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134 27 27
135 8 8
136 20 20
144 55 55
147 12 12
149 8 8
156 8 8
162 8 8
177 12 12
209 20 20
226 16 16
238 999 999
239 67 67
260 67 67
276 8 8
288 8 8
//