MassBank Record: FIO00404



 N,N-Diethyl-2-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: FIO00404
RECORD_TITLE: N,N-Diethyl-2-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] CB171_N
COMMENT: N-Diethyl-2-methoxybenzamide_pos_50eV_CB000065.txt

CH$NAME: N,N-Diethyl-2-methoxybenzamide CH$COMPOUND_CLASS: unknown CH$FORMULA: C12H17NO2 CH$EXACT_MASS: 207.12593 CH$SMILES: CCN(CC)C(=O)c(c1)c(OC)ccc1 CH$IUPAC: InChI=1S/C12H17NO2/c1-4-13(5-2)12(14)10-8-6-7-9-11(10)15-3/h6-9H,4-5H2,1-3H3 CH$LINK: CAS 51674-10-3 CH$LINK: CHEMSPIDER 307843 CH$LINK: PUBCHEM 346975
AC$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$FOCUSED_ION: BASE_PEAK 135.044200 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052u-3900000000-268610ec490ff34ff27a PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 77.037000 738.000000 71 92.025600 5547.000000 536 93.029000 465.000000 45 95.049000 1909.000000 184 96.052600 177.000000 17 105.044900 7369.000000 711 106.048100 452.000000 44 107.049100 440.000000 42 119.036800 160.000000 15 120.020700 1799.000000 174 121.028400 1169.000000 113 135.044200 10348.000000 999 136.047600 753.000000 73 138.031300 645.000000 62 //