ACCESSION: MSBNK-IPB_Halle-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
//