ACCESSION: MSBNK-RIKEN_ReSpect-PS026502
RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, 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 SIGMA, A5131.
COMMENT: PRIMe compound in-house ID 265
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$NAME: L-Arginine monohydrochloride
CH$NAME: Argamine
CH$NAME: 2-Amino-5-guanidinovaleric Acid
CH$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$SPLASH: splash10-02or-9800000000-eddf5035fd798b43eae5
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  59.0 9171.0 175
  60.0 46470.0 889
  69.0 8046.0 154
  70.0 51722.0 990
  72.0 2115.0 40
  112.0 1993.0 38
  114.0 1574.0 30
  115.0 6109.0 117
  116.0 34533.0 661
  130.0 7162.0 137
  158.0 3438.0 66
  174.0 8515.0 163
  175.0 52217.0 999
//