MassBank Record: KO008848

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Argininosuccinic acid; LC-ESI-IT; MS3; m/z: 291/158; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: KO008848
RECORD_TITLE: Argininosuccinic acid; LC-ESI-IT; MS3; m/z: 291/158; [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 0.70/0.55
MS$FOCUSED_ION: PRECURSOR_M/Z 291/158 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0006-3900000000-1fce5114c61349fc9065 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 70.2 41.92 58 85.9 4.00 6 88.1 14.52 20 98.1 335.09 463 99.0 9.85 14 112.1 56.21 78 113.0 7.68 11 115.1 37.45 52 116.0 2.31 3 130.0 17.69 24 130.9 10.99 15 140.0 722.39 999 141.1 11.53 16 157.8 3.15 4 159.0 27.76 38 175.1 9.38 13 187.0 12.77 18 //