ACCESSION: MSBNK-RIKEN_ReSpect-PS065602
RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic 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, 019-04611.
COMMENT: PRIMe compound in-house ID S0043
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$NAME: Argamine
CH$NAME: 2-Amino-5-guanidinovaleric Acid
CH$NAME: L(+)-Arginine
CH$NAME: Levargin
CH$NAME: Argivene
CH$NAME: Detoxargin
CH$NAME: Arg
CH$NAME: (S)-2-Amino-5-guanidinopentanoic Acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Arginine
CH$FORMULA: C₆H₁₄N₄O₂
CH$EXACT_MASS: 174.204
CH$SMILES: C(CC(C(=O)O)N)CN=C(N)N
CH$IUPAC: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
CH$LINK: CAS 74-79-3
CH$LINK: KEGG C00062
CH$LINK: PUBCHEM CID:6322
CH$LINK: INCHIKEY ODKSFYDXXFIFQN-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 20

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 175.22

PK$SPLASH: splash10-02or-7900000000-3594bef655f30323e674
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  59.0 12066.0 118
  60.0 60880.0 596
  69.0 10445.0 102
  70.0 101992.0 999
  72.0 5288.0 52
  115.0 12779.0 125
  116.0 75566.0 740
  130.0 14363.0 141
  158.0 9250.0 91
  173.0 5177.0 51
  174.0 13995.0 137
  175.0 89164.0 873
//