ACCESSION: MSBNK-RIKEN_ReSpect-PS065603
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 30

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

PK$SPLASH: splash10-00di-9000000000-c4c3e71c7b9ec2cd4586
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  59.0 10669.0 41
  60.0 68044.0 261
  69.0 45370.0 174
  70.0 260288.0 999
  116.0 21689.0 83
  175.0 20245.0 78
//