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MassBank Record: MSBNK-RIKEN_ReSpect-PT106560

Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT106560
RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Argamine
CH$NAME: 2-Amino-5-guanidinovaleric Acid
CH$NAME: L(+)-Arginine
CH$NAME: Levargin
CH$NAME: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
CH$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: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 175.11947

PK$SPLASH: splash10-00fr-7900000000-4e69a6ce7b97433937ee
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  70.0664 1052.0 999
  116.0718 363.5 345
  130.0991 178.9 170
  158.0941 137.0 130
  175.1195 633.6 602
//

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