MassBank Record: FIO00370



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

ACCESSION: FIO00370
RECORD_TITLE: N,N-Diethyl-4-methoxybenzamide; 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] CB153_N
COMMENT: N-Diethyl-4-methoxybenzamide_pos_40eV_CB000058.txt

CH$NAME: N,N-Diethyl-4-methoxybenzamide CH$COMPOUND_CLASS: unknown CH$FORMULA: C12H17NO2 CH$EXACT_MASS: 207.12593 CH$SMILES: COc(c1)ccc(c1)C(=O)N(CC)CC CH$IUPAC: InChI=1S/C12H17NO2/c1-4-13(5-2)12(14)10-6-8-11(15-3)9-7-10/h6-9H,4-5H2,1-3H3 CH$LINK: CAS 7465-86-3 CH$LINK: CHEMSPIDER 201668
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 135.044500 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-e5d514bba7a33b42b2f1 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 77.037500 666.000000 13 92.025700 3497.000000 70 95.049100 1082.000000 22 105.045000 6751.000000 136 107.049300 2822.000000 57 125.060000 3998.000000 80 134.060200 655.000000 13 135.044500 49747.000000 999 136.047800 3680.000000 74 //