MassBank Record: FIO00386



 N,N-Diethyl-2,4-dimethoxybenzamide; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FIO00386
RECORD_TITLE: N,N-Diethyl-2,4-dimethoxybenzamide; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
DATE: 2016.01.19 (Created 2013.03.13)
AUTHORS: Markus Kohlhoff, Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
LICENSE: CC BY-NC
COPYRIGHT: (c) Research Center Rene Rachou (FIOCRUZ, Brazil)
COMMENT: [Raw Data] CB156_N
COMMENT: N-Diethyl-2
COMMENT: 4-dimethoxybenzamide_pos_50eV_CB000061.txt

CH$NAME: N,N-Diethyl-2,4-dimethoxybenzamide CH$COMPOUND_CLASS: unknown CH$FORMULA: C13H19NO3 CH$EXACT_MASS: 237.13649 CH$SMILES: CCN(CC)C(=O)c(c1)c(OC)cc(OC)c1 CH$IUPAC: InChI=1S/C13H19NO3/c1-5-14(6-2)13(15)11-8-7-10(16-3)9-12(11)17-4/h7-9H,5-6H2,1-4H3 CH$LINK: CAS 142601-55-6 CH$LINK: CHEMSPIDER 554353
AC$INSTRUMENT: maXis (Bruker Daltonics) AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 4500 V AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 eV AC$MASS_SPECTROMETRY: COLLISION_GAS Nitrogen AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 8 l/min AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: NEBULIZER 2.0 bar AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis C18 3um 2.1x150mm AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE RT AC$CHROMATOGRAPHY: FLOW_GRADIENT 1-100% B in 10min AC$CHROMATOGRAPHY: FLOW_RATE 200ul/min AC$CHROMATOGRAPHY: SOLVENT 0.1% formic acid in water (A) and methanol (B)
MS$FOCUSED_ION: BASE_PEAK 122.036500 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00xr-0900000000-42518829fb02648b255a PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 92.025800 2545.000000 52 94.041300 1603.000000 32 95.049000 1115.000000 23 105.045000 3016.000000 61 107.013000 13822.000000 280 108.016800 797.000000 16 109.065000 1797.000000 36 120.020800 998.000000 20 122.036500 49323.000000 999 123.039900 2953.000000 60 125.060000 1007.000000 20 135.044300 8660.000000 175 136.047700 626.000000 13 137.059900 781.000000 16 150.031100 7753.000000 157 151.037900 2085.000000 42 165.054600 27895.000000 565 166.057900 2233.000000 45 168.041700 3398.000000 69 //