MassBank Record: PR100322



 L-(+)-Lysine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100322
RECORD_TITLE: L-(+)-Lysine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: L-(+)-Lysine CH$NAME: Lys CH$NAME: Lysine acid CH$NAME: 2,6-diaminohexanoic acid CH$COMPOUND_CLASS: Amino acids CH$FORMULA: C6H14N2O2 CH$EXACT_MASS: 146.10553 CH$SMILES: NCCCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 CH$LINK: CAS 56-87-1 CH$LINK: CHEMSPIDER 62772 CH$LINK: KAPPAVIEW KPC00717 CH$LINK: KEGG C00047 CH$LINK: KNAPSACK C00001378 CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 147.11332 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9300000000-8931d2193adab166d5e4 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 67.0558 560.1 54 84.0786 10400 999 84.3087 942 90 130.0841 3398 326 147.1133 1085 104 //