ACCESSION: MSBNK-RIKEN_ReSpect-PS071905
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 50

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

PK$SPLASH: splash10-053r-9000000000-e59a9386f07bb07dfce7
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  28.0 7438.0 147
  29.0 2846.0 56
  30.0 5493.0 108
  41.0 12037.0 237
  42.0 3588.0 71
  55.0 12585.0 248
  56.0 31627.0 623
  67.0 5542.0 109
  69.0 4266.0 84
  74.0 2446.0 48
  83.0 8881.0 175
  84.0 50693.0 999
//