ACCESSION: MSBNK-RIKEN_ReSpect-PM000937
RECORD_TITLE: 5-Hydroxy-L-lysine; LC-ESI-QQ; MS2
DATE: 2006.04.27
AUTHORS: Piraud M, et al.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2012 Plant Science Center, RIKEN
PUBLICATION: Piraud, M.; Vianey-Saban, C.; Petritis, K.; Elfakir, C.; Steghens, J.-P.; Morla, A.; Bouchu, D. ESI-MS/MS Analysis of Underivatised Amino Acids: A New Tool for the Diagnosis of Inherited Disorders of Amino Acid Metabolism. Fragmentation Study of 79 Molecules of Biological Interest in Positive and Negative Ionisation Mode. Rapid Communications in Mass Spectrometry 2003, 17 (12), 1297–311. DOI:10.1002/rcm.1054
COMMENT: 732

CH$NAME: 5-Hydroxy-L-lysine
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Lysine
CH$FORMULA: C₆H₁₄N₂O₃
CH$EXACT_MASS: 162.189
CH$SMILES: NC[C@H](O)CC[C@H](N)C(=O)O
CH$IUPAC: InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
CH$LINK: CAS 1190-94-9
CH$LINK: INCHIKEY YSMODUONRAFBET-UHNVWZDZSA-N
CH$LINK: PUBCHEM CID:3032849
SP$SAMPLE: authentic sample

AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada)
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 18
AC$CHROMATOGRAPHY: SOLVENT MeOH/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 163

PK$SPLASH: splash10-057i-8900000000-7c3555338cc06925098f
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  55.0 32.0 320
  56.0 20.0 200
  57.0 11.0 110
  74.0 14.0 140
  82.0 82.0 819
  100.0 28.0 280
  128.0 100.0 999
  145.0 42.0 420
//