MassBank Record: FIO00401

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N,N-Diethyl-2-methoxybenzamide; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: FIO00401
RECORD_TITLE: N,N-Diethyl-2-methoxybenzamide; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
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: N-Diethyl-2-methoxybenzamide_pos_20eV_CB000065.txt
COMMENT: [Raw Data] CB171_N

CH$NAME: N,N-Diethyl-2-methoxybenzamide
CH$COMPOUND_CLASS: unknown
CH$FORMULA: C12H17NO2
CH$EXACT_MASS: 207.125930000000010977601050399243831634521484375
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$LINK: COMPTOX DTXSID00323988
CH$LINK: INCHIKEY ZFIIUAIWXACNKN-UHFFFAOYSA-N
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 20 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$FOCUSED_ION: BASE_PEAK 135.044300
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0900000000-934c837f8ad159425d7f
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  135.044300 190188.000000 999
  136.047400 12675.000000 67
  208.133100 11640.000000 61
//