ACCESSION: MSBNK-Keio_Univ-KO003284
RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID L004

CH$NAME: Lys
CH$NAME: L-Lysine
CH$NAME: Lysine acid
CH$NAME: 2,6-Diaminohexanoic acid
CH$NAME: L-(+)-Lysine
CH$COMPOUND_CLASS: N/A
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: CHEBI 18019
CH$LINK: KEGG C00047
CH$LINK: NIKKAJI J9.176F
CH$LINK: PUBCHEM SID:3349
CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID6023232

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 147
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-9000000000-ace0361476d939043e98
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  40.900 39604.0 1
  55.200 138614.0 4
  56.200 935644.5 24
  59.800 29703.0 1
  65.100 19802.0 1
  67.100 1237625.0 32
  69.100 356436.0 9
  72.000 34653.5 1
  73.900 212871.5 5
  82.200 128713.0 3
  82.900 29703.0 1
  84.300 38980237.0 999
  85.200 232673.5 6
  87.300 29703.0 1
  88.500 44554.5 1
  93.800 74257.5 2
  95.200 84158.5 2
  96.600 29703.0 1
  112.300 84158.5 2
  113.000 44554.5 1
  130.200 257426.0 7
  146.900 69307.0 2
//