ACCESSION: MSBNK-IPB_Halle-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
//