MassBank Record: RP001202



 L-Arginine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP001202
RECORD_TITLE: L-Arginine; LC-ESI-QTOF; MS2; CE: 20; 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 20 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: splash10-00vi-3900000000-2d16b63fb1a9005b7ec5 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 61.0518 156 59 71.0487 562 215 72.0804 1848 710 87.0321 42 16 97.0763 96 36 98.0599 80 30 103.0131 64 24 112.0871 264 101 113.091 82 31 115.0852 44 16 116.0703 2292 880 130.0972 734 282 131.0061 80 30 158.0919 1264 485 175.1183 2600 999 //