MassBank Record: KNA00786



 L-(+)-Arginine; LC-ESI-ITFT; MS2; m/z:173.10; NEG 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KNA00786
RECORD_TITLE: L-(+)-Arginine; LC-ESI-ITFT; MS2; m/z:173.10; NEG
DATE: 2016.01.19 (2009.11.19, 2011.08.03)
AUTHORS: Takahashi HGraduate School of Information Science, NAIST, Kanaya SGraduate School of Information Science, NAIST, Ogasawara NGraduate School of Information Science, NAIST, Graduate School of Information Science, NAIST
LICENSE: CC BY-SA

CH$NAME: L-Arginine CH$NAME: (S)-2-Amino-5-guanidinovaleric acid CH$NAME: L-(+)-Arginine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H14N4O2 CH$EXACT_MASS: 174.11168 CH$SMILES: NC(=N)NCCC[C@H](N)C(O)=O CH$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)/t4-/m0/s1 CH$LINK: CAS 74-79-3 CH$LINK: CHEBI 16467 CH$LINK: KEGG C00062 CH$LINK: KNAPSACK C00001340 CH$LINK: NIKKAJI J9.182K CH$LINK: PUBCHEM 3362 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-BYPYZUCNSA-N
AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic AC$INSTRUMENT_TYPE: LC-ESI-ITFT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: COLUMN_NAME TOSOH TSKgel ODS-100V 5um Part no. 21456 AC$CHROMATOGRAPHY: FLOW_GRADIENT 0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile) AC$CHROMATOGRAPHY: FLOW_RATE 0.5 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 4.135092 min AC$CHROMATOGRAPHY: SOLVENT 0.1%formate-water / 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 130.979462 MS$FOCUSED_ION: PRECURSOR_M/Z 173.10
PK$SPLASH: splash10-001i-0900000000-b9ebb7ebccee1a313888 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 130.979462 4303.308594 999 156.052399 619.686035 144 //