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MassBank Record: MSBNK-RIKEN_ReSpect-PT205020

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

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT205020
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: 2008.07.28
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 NEGATIVE
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 275.12433

PK$SPLASH: splash10-0a4i-0290000000-c0b375ed0505ad2eab6c
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  145.0972 132.1 192
  196.0976 163.9 238
  213.1231 84.37 123
  257.113 687.8 999
  275.1243 168.9 245
//

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