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MassBank Record: MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00461

Lidocaine; LC-ESI-QTOF; MS2; CE: 10.0V; [M+H]+

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

ACCESSION: MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00461
RECORD_TITLE: Lidocaine; LC-ESI-QTOF; MS2; CE: 10.0V; [M+H]+
DATE: 2015.11.27
AUTHORS: Lege S, Zwiener C, Environmental Analytical Chemistry (EAC), University of Tuebingen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2015, Environmental Analytical Chemistry (EAC), University of Tuebingen, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)

CH$NAME: Lidocaine
CH$NAME: Lignocaine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H22N2O
CH$EXACT_MASS: 234.17321
CH$SMILES: CCN(CC)C/C(=N\c1c(cccc1C)C)/O
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: INCHIKEY NNJVILVZKWQKPM-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 3548
CH$LINK: COMPTOX DTXSID1045166
CH$LINK: PUBCHEM CID:3676

AC$INSTRUMENT: 6550 Q-TOF (Agilent Technologies)
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0V
AC$MASS_SPECTROMETRY: RESOLUTION 12000 (m/z 120) - 26000 (m/z 1000)
AC$CHROMATOGRAPHY: COLUMN_NAME Flow injection
AC$CHROMATOGRAPHY: SOLVENT A AcN:H2O (50:50) + 0.1 % Acetic acid + 1mM Ammoniumacetate

MS$FOCUSED_ION: PRECURSOR_M/Z 235.18049
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: REMOVE_PEAK abs.int. < 50
MS$DATA_PROCESSING: REMOVE_PEAK rel.int. < 5

PK$SPLASH: splash10-000i-9060000000-b5aef137d8e488097fc4
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  58.0653 959 10
  86.0966 99266 999
  235.1810 74705 752
//

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