MassBank Record: MSBNK-Waters-WA000598
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
//