MassBank Record: PB000429



 Lysine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000429
RECORD_TITLE: Lysine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 256
COMMENT: CONFIDENCE: confident structure

CH$NAME: Lysine CH$NAME: 2,6-diaminohexanoic acid CH$COMPOUND_CLASS: Natural Product; amino acid CH$FORMULA: C6H14N2O2 CH$EXACT_MASS: 146.10553 CH$SMILES: C(CCN)CC(C(=O)O)N CH$IUPAC: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N CH$LINK: KEGG C00047 CH$LINK: PUBCHEM CID:866
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-0ecbf1ff77a05e3f57d8 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 41.040 24.960 1 42.035 44.082 3 55.056 131.005 12 56.051 1216.074 120 57.071 57.206 4 65.040 30.522 2 67.055 524.550 51 69.059 48.311 3 74.024 92.715 8 82.067 35.371 2 84.082 10000.000 999 85.066 65.457 5 95.050 31.349 2 112.077 20.455 1 130.087 45.714 3 //