ACCESSION: MSBNK-IPB_Halle-PB000427
RECORD_TITLE: Lysine; LC-ESI-QTOF; MS2; CE:15 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$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-3900000000-2f197dcca0f8c23009be
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  84.082 6368.273 635
  101.110 122.130 11
  102.094 63.605 5
  129.102 443.972 43
  130.086 10000.000 999
  147.113 3765.696 375
//