MassBank Record: FIO00413



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

ACCESSION: FIO00413
RECORD_TITLE: N,N-Diethyl-4-hydroxybenzamide; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
DATE: 2016.01.19 (Created 2013.04.08)
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] CB172_N
COMMENT: N-Diethyl-4-hydroxybenzamide_neg_40eV_000031.txt

CH$NAME: N,N-Diethyl-4-hydroxybenzamide CH$COMPOUND_CLASS: unknown CH$FORMULA: C11H15NO2 CH$EXACT_MASS: 193.11028 CH$SMILES: CCN(CC)C(=O)c(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-5-7-10(13)8-6-9/h5-8,13H,3-4H2,1-2H3 CH$LINK: CAS 79119-31-6 CH$LINK: CHEMSPIDER 440205 CH$LINK: PUBCHEM 504154
AC$INSTRUMENT: maXis (Bruker Daltonics) AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$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$FOCUSED_ION: BASE_PEAK 92.027100 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-6900000000-bd911fd5a87f0251081e PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 92.027100 5832.000000 999 93.034000 1026.000000 176 108.021700 332.000000 57 118.030000 560.000000 96 119.049800 199.000000 34 120.021500 2386.000000 409 121.028200 399.000000 68 146.024800 270.000000 46 147.032400 233.000000 40 148.040300 2228.000000 382 149.043700 198.000000 34 160.040100 210.000000 36 161.047900 125.000000 21 162.056000 721.000000 124 164.071100 128.000000 22 176.071600 1136.000000 195 177.074100 127.000000 22 192.103200 179.000000 31 //