MassBank Record: PB000430



 Lysine; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000430
RECORD_TITLE: Lysine; LC-ESI-QTOF; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-053r-9000000000-32e2cff52e2d6e5a232c PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 39.023 44.441 3 41.040 193.129 18 42.036 201.926 19 43.043 38.786 2 53.041 20.850 1 54.037 23.134 1 55.056 766.748 75 56.051 5647.649 563 57.071 150.859 14 65.039 199.070 18 67.055 1283.873 127 68.051 81.513 7 69.059 401.282 39 70.065 13.252 0 71.051 23.877 1 74.025 111.388 10 77.040 17.079 0 82.066 136.522 12 84.082 10000.000 999 85.067 26.962 1 91.054 20.964 1 //