MassBank Record: WA000464



 Toloxatone; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000464
RECORD_TITLE: Toloxatone; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Toloxatone CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H13NO3 CH$EXACT_MASS: 207.08954 CH$SMILES: OCC(O2)CN(C(=O)2)c(c1)cc(C)cc1 CH$IUPAC: InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3 CH$LINK: CAS 29218-27-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.590 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0190000000-432fb5f5dd6e7219e31a PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 120 153 153 146 16 16 152 12 12 164 31 31 208 999 999 209 74 74 225 16 16 230 12 12 249 39 39 //