MassBank Record: FIO00385



 N,N-Diethyl-2,4-dimethoxybenzamide; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FIO00385
RECORD_TITLE: N,N-Diethyl-2,4-dimethoxybenzamide; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
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_40eV_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 40 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 165.054900 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0900000000-07dd7ef329de1363ff48 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 105.045000 2392.000000 15 107.012900 2404.000000 15 109.065100 3629.000000 23 122.036700 33411.000000 209 123.039900 2100.000000 13 125.060000 1619.000000 10 135.044500 12444.000000 78 137.059800 1830.000000 11 150.031400 14201.000000 89 151.037300 1689.000000 11 165.054900 159411.000000 999 166.058200 11259.000000 71 168.041800 5414.000000 34 //