ACCESSION: MSBNK-RIKEN_ReSpect-PT105020
RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, (2S)-2-[[(5S)-5-amino-6-hydroxy-6-oxohexyl]amino]pentanedioic acid, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: N6-(L-1,3-dicarboxylpropyl)-L-lysine
CH$NAME: (2S)-2-[[(5S)-5-amino-6-hydroxy-6-oxohexyl]amino]pentanedioic acid
CH$NAME: L-saccharopine
CH$NAME: epsilon-N-(L-glutar-2-yl)-L-lysine
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Saccharopine
CH$FORMULA: C₁₁H₂₀N₂O₆
CH$EXACT_MASS: 276.289
CH$SMILES: C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N
CH$IUPAC: InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)
CH$LINK: CAS 997-68-2
CH$LINK: INCHIKEY ZDGJAHTZVHVLOT-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 277.13993

PK$SPLASH: splash10-001i-9240000000-d841eea4ebc5da1106f7
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  67.0551 50.92 23
  84.0454 60.72 28
  84.0811 2169.0 999
  130.0867 589.6 272
  195.1143 81.0 37
  213.1243 487.0 224
  231.1346 50.4 23
  259.1291 307.9 142
  277.1399 396.1 182
//