MassBank Record: UF410201



 Lidocain; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: UF410201
RECORD_TITLE: Lidocain; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
DATE: 2017.01.05
AUTHORS: Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 4102

CH$NAME: Lidocain CH$NAME: Lidocaine CH$NAME: 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide CH$COMPOUND_CLASS: N/A; Environmental Standard CH$FORMULA: C14H22N2O CH$EXACT_MASS: 234.1732 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
AC$INSTRUMENT: LTQ Orbitrap XL Thermo Scientific AC$INSTRUMENT_TYPE: LC-ESI-ITFT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD AC$MASS_SPECTROMETRY: COLLISION_ENERGY 55 (nominal) AC$MASS_SPECTROMETRY: RESOLUTION 15000 AC$CHROMATOGRAPHY: COLUMN_NAME Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 80/20 at 3.2 min, 5/95 at 17.8 min, 5/95 at 37.8 min, 90/10 at 37.9 min, 90/10 at 47 min AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 14.456 min AC$CHROMATOGRAPHY: SOLVENT A water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 235.1803 MS$FOCUSED_ION: PRECURSOR_M/Z 235.1805 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1 MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.2.1
PK$SPLASH: splash10-000i-9000000000-eaebad6c7c4ce7832c9c PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 86.0964 C5H12N+ 1 86.0964 -0.77 133.0077 C11H+ 1 133.0073 3.14 134.0964 C9H12N+ 1 134.0964 -0.52 151.0182 C11H3O+ 1 151.0178 2.53 235.1807 C14H23N2O+ 1 235.1805 1.06 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 86.0964 4571143.5 999 133.0077 86452.9 18 134.0964 5166.9 1 151.0182 6086.2 1 235.1807 26864.5 5 //