MassBank Record: PB000428



 Lysine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000428
RECORD_TITLE: Lysine; LC-ESI-QTOF; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9200000000-75ce14082d38b6589d4a PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 56.051 53.446 4 67.056 65.007 5 84.082 10000.000 999 85.066 66.939 5 102.094 58.875 4 112.077 49.933 3 129.104 82.076 7 130.087 2543.877 253 147.113 172.648 16 //