MassBank Record: KO008846

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Argininosuccinic acid; LC-ESI-IT; MS3; m/z: 291/228; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: KO008846
RECORD_TITLE: Argininosuccinic acid; LC-ESI-IT; MS3; m/z: 291/228; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A039
COMMENT: [MS2] KO008844

CH$NAME: Argininosuccinate CH$NAME: L-Argininosuccinate CH$NAME: L-Argininosuccinic acid CH$NAME: L-Arginosuccinic acid CH$NAME: N(omega)-(L-Arginino)succinate CH$NAME: N-(L-Arginino)succinate CH$NAME: Argininosuccinic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H18N4O6 CH$EXACT_MASS: 290.12263 CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI 15682 CH$LINK: KEGG C03406 CH$LINK: PUBCHEM 6235 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.65
MS$FOCUSED_ION: PRECURSOR_M/Z 291/228 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-03di-1980000000-27b5f442d411115ebaab PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 68.2 2.08 2 70.2 181.17 190 94.0 6.62 7 97.1 5.15 5 98.0 2.46 3 121.0 2.00 2 122.1 6.77 7 125.1 28.07 29 137.0 24.76 26 139.9 3.23 3 143.1 5.23 5 145.1 7.69 8 147.2 2.46 3 149.0 486.16 510 156.6 2.08 2 158.0 95.35 100 159.1 0.77 1 164.0 57.30 60 165.0 12.07 13 166.0 264.99 278 168.0 15.15 16 169.1 1.85 2 173.1 7.30 8 175.0 27.76 29 183.0 129.73 136 185.0 18.53 19 192.0 57.37 60 193.0 97.20 102 210.0 952.49 999 211.0 195.79 205 211.9 5.08 5 223.2 4.46 5 227.2 17.69 19 228.1 54.29 57 247.2 4.84 5 //