MassBank Record: MSBNK-RIKEN_ReSpect-PT107190
ACCESSION: MSBNK-RIKEN_ReSpect-PT107190
RECORD_TITLE: Lys, (2S)-2,6-diaminohexanoic acid, L-(+)-Lysine, Lysine acid, 2,6-diaminohexanoic acid; 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$NAME: Lys
CH$NAME: (2S)-2,6-diaminohexanoic acid
CH$NAME: L-(+)-Lysine
CH$NAME: Lysine acid
CH$NAME: 2,6-diaminohexanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Lysine
CH$FORMULA: C6H14N2O2
CH$EXACT_MASS: 146.19
CH$SMILES: C(CCN)CC(C(=O)O)N
CH$IUPAC: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)
CH$LINK: CAS
56-87-1
CH$LINK: INCHIKEY
KDXKERNSBIXSRK-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 147.11332
PK$SPLASH: splash10-001i-9300000000-8931d2193adab166d5e4
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
67.0558 560.1 54
84.0786 10400.0 999
84.3087 942.0 90
130.0841 3398.0 326
147.1133 1085.0 104
//