MassBank Record: FIO00371



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

ACCESSION: FIO00371
RECORD_TITLE: N,N-Diethyl-4-methoxybenzamide; 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] CB153_N
COMMENT: N-Diethyl-4-methoxybenzamide_pos_50eV_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 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 135.044600 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052u-3900000000-a64f45115a79540296cc PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 77.037200 590.000000 67 79.052600 125.000000 14 92.025900 4540.000000 519 93.028800 339.000000 39 95.049200 1434.000000 164 96.052300 131.000000 15 105.045100 6659.000000 761 106.048300 289.000000 33 107.049400 1114.000000 127 119.036900 305.000000 35 125.060000 1719.000000 196 134.060200 516.000000 59 135.044600 8743.000000 999 136.047900 687.000000 78 //