MassBank Record: AU121203

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Lidocaine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: AU121203
RECORD_TITLE: Lidocaine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
DATE: 2015.12.06
AUTHORS: Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY-SA
COPYRIGHT: Copyright (C) 2015 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 1212

CH$NAME: Lidocaine CH$NAME: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide CH$COMPOUND_CLASS: N/A; Environmental Standard CH$FORMULA: C14H22N2O CH$EXACT_MASS: 234.1732133 CH$SMILES: CCN(CC)CC(=O)NC1=C(C)C=CC=C1C CH$IUPAC: InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) CH$LINK: CAS 137-58-6 CH$LINK: CHEBI 6456 CH$LINK: KEGG D00358 CH$LINK: PUBCHEM CID:3676 CH$LINK: INCHIKEY NNJVILVZKWQKPM-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 3548 CH$LINK: COMPTOX DTXSID1045166
AC$INSTRUMENT: Bruker maXis Impact AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: RESOLUTION 35000 AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min AC$CHROMATOGRAPHY: RETENTION_TIME 4.6 min AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.01% formic acid and 5mM ammonium formate
MS$FOCUSED_ION: BASE_PEAK 235.1805 MS$FOCUSED_ION: PRECURSOR_M/Z 235.1805 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1 MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.0.3
PK$SPLASH: splash10-001i-0920000000-f9f648594c0f1642cc4c PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 132.0802 C9H10N+ 1 132.0808 -4.33 134.0957 C9H12N+ 1 134.0964 -5.78 144.0786 C10H10N+ 1 144.0808 -15.14 150.0913 C9H12NO+ 1 150.0913 -0.56 155.0676 C6H9N3O2+ 1 155.0689 -8.52 173.0795 C9H9N4+ 1 173.0822 -15.48 173.105 C11H13N2+ 1 173.1073 -13.52 235.1804 C14H23N2O+ 1 235.1805 -0.46 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 132.0802 600 274 134.0957 2184 999 144.0786 448 204 150.0913 596 272 155.0676 624 285 173.0795 424 193 173.105 316 144 235.1804 1232 563 //