MassBank Record: FIO00380



 N,N-Diethyl-3-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: FIO00380
RECORD_TITLE: N,N-Diethyl-3-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] CB155_N
COMMENT: N-Diethyl-3-methoxybenzamide_pos_40eV_CB000060.txt

CH$NAME: N,N-Diethyl-3-methoxybenzamide CH$COMPOUND_CLASS: unknown CH$FORMULA: C12H17NO2 CH$EXACT_MASS: 207.12593 CH$SMILES: COc(c1)cc(cc1)C(=O)N(CC)CC CH$IUPAC: InChI=1S/C12H17NO2/c1-4-13(5-2)12(14)10-7-6-8-11(9-10)15-3/h6-9H,4-5H2,1-3H3 CH$LINK: CAS 62924-93-0 CH$LINK: CHEMSPIDER 582649
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 135.045000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0550-1900000000-2a6b3001df071f9eb110 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 77.037200 448.000000 32 79.053600 168.000000 12 92.025600 3899.000000 278 93.029300 283.000000 20 94.041200 185.000000 13 95.049000 1194.000000 85 100.075600 171.000000 12 105.044800 5836.000000 416 106.048100 381.000000 27 107.049300 5459.000000 389 108.052900 488.000000 35 109.065200 225.000000 16 119.036900 225.000000 16 125.060100 7747.000000 552 126.063300 537.000000 38 134.060400 1755.000000 125 135.045000 14022.000000 999 136.048600 1162.000000 83 //