MassBank Record: RP001201



 L-Arginine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP001201
RECORD_TITLE: L-Arginine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
DATE: 2017.10.20
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 12

CH$NAME: L-Arginine CH$NAME: (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C6H14N4O2 CH$EXACT_MASS: 174.11168 CH$SMILES: C(C[C@@H](C(=O)O)N)CNC(=N)N CH$IUPAC: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 CH$LINK: CAS 74-79-3 CH$LINK: CHEBI 16467 CH$LINK: KEGG C00062 CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-BYPYZUCNSA-N CH$LINK: CHEMSPIDER 6082
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 0.547 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 65.0596 MS$FOCUSED_ION: PRECURSOR_M/Z 175.119 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-004i-0900000000-41074c653e6eb1a5287d PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 46.0985 70 1 61.0508 120 1 74.0474 118 1 114.1015 86 1 115.0877 78 1 116.0706 1176 17 130.0964 506 7 132.0504 76 1 157.1075 698 10 158.0915 2808 41 175.1185 67812 999 //