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MassBank Record: PS071903

Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQ; MS2

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

ACCESSION: PS071903
RECORD_TITLE: Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Wako, 126-01451 .
COMMENT: PRIMe compound in-house ID S0116
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: Lysine acid
CH$NAME: L-(+)-Lysine
CH$NAME: Lys
CH$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$LINK: KEGG C00047
CH$LINK: PUBCHEM CID:5962
CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$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 30

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 147.18

PK$SPLASH: splash10-001i-9000000000-572c6c4802fe057ec196
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  56.0 41015.0 75
  83.0 51456.0 95
  84.0 543318.0 999
//

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