ACCESSION: MSBNK-Keio_Univ-KO003283
RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-001i-9200000000-f8b9f01b2a9886c51df9
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  56.400 9901.0 1
  67.000 128713.0 2
  69.200 376238.0 7
  70.200 19802.0 1
  72.400 19802.0 1
  74.000 138614.0 3
  84.300 51500051.5 999
  85.100 292079.5 6
  88.100 44554.5 1
  95.100 59406.0 1
  96.200 29703.0 1
  97.300 49505.0 1
  101.100 153465.5 3
  102.300 148515.0 3
  111.300 29703.0 1
  112.000 138614.0 3
  112.500 34653.5 1
  115.000 44554.5 1
  128.900 396040.0 8
  130.100 10876248.5 211
  147.000 737624.5 14
//