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MassBank Record: KO009034

Lidocaine; LC-ESI-IT; MS2; m/z: 235; [M+H]+

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

ACCESSION: KO009034
RECORD_TITLE: Lidocaine; LC-ESI-IT; MS2; m/z: 235; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID L034

CH$NAME: Lidocaine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H22N2O
CH$EXACT_MASS: 234.17321
CH$SMILES: CCN(CC)CC(=O)Nc(c(C)1)c(C)ccc1
CH$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$LINK: KEGG C07073
CH$LINK: INCHIKEY NNJVILVZKWQKPM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1045166

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 235
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-000i-9000000000-9ff21e9bcf3f87f70774
PK$ANNOTATION: m/z struct. num formula mass
  86.2 1 1 C5H12N 86.09697
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  85.4 1134.42 1
  86.2 4867973.72 999
  87.3 15171.97 3
  89.0 1398.21 1
  93.3 119.85 1
  95.3 504.04 1
  99.3 1331.35 1
  123.1 262.15 1
  133.1 152.92 1
  133.9 1616.30 1
  142.1 238.26 1
  159.1 1437.69 1
  165.1 157.01 1
  179.1 505.93 1
  192.2 101.82 1
  216.0 144.28 1
  217.2 1279.18 1
  218.1 157.47 1
  234.1 901.49 1
  235.2 28118.90 6
//

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