MassBank Record: KNA00413



 L-(+)-Arginine; LC-ESI-ITFT; MS2; m/z:175.12; POS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KNA00413
RECORD_TITLE: L-(+)-Arginine; LC-ESI-ITFT; MS2; m/z:175.12; POS
DATE: 2016.01.19 (2009.11.18, 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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$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$CHROMATOGRAPHY: RETENTION_TIME 4.087622 min AC$CHROMATOGRAPHY: SOLVENT 0.1%formate-water / 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 158.068558 MS$FOCUSED_ION: PRECURSOR_M/Z 175.12
PK$SPLASH: splash10-0a4i-2900000000-c930c47ecbe6975a00fc PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 59.949654 87574.414063 541 60.695862 83.618118 1 69.960846 22397.613281 138 72.037979 4691.522461 29 96.991943 1304.175781 8 98.078613 841.398376 5 112.142166 14726.501953 91 113.102371 1508.254883 9 114.133942 7642.892578 47 115.229965 6845.449219 42 116.066605 108113.585938 668 129.992996 69765.742188 431 131.055557 275.644928 2 132.066315 713.129578 4 133.075684 1849.951660 11 140.032867 7000.950195 43 141.004379 1017.148438 6 157.114944 127515.140625 788 158.068558 161693.468750 999 159.034668 99.222862 1 175.132294 521.882141 3 //