MassBank Record: KO008845

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Argininosuccinic acid; LC-ESI-IT; MS3; m/z: 291/273; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: KO008845
RECORD_TITLE: Argininosuccinic acid; LC-ESI-IT; MS3; m/z: 291/273; [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 0.60/0.80
MS$FOCUSED_ION: PRECURSOR_M/Z 291/273 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0a4i-0910000000-62431d9967ced6c96b28 PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 81.2 2.95 1 84.2 3.58 1 88.1 7.37 1 89.2 3.21 1 91.2 4.21 1 95.1 26.48 1 97.1 107.74 4 98.1 2942.25 112 105.1 44.37 2 109.1 25.00 1 111.1 17.42 1 112.1 249.07 9 113.0 2.63 1 114.0 3.11 1 115.1 828.03 31 116.1 4676.10 178 116.9 31.47 1 119.0 8.05 1 121.9 37.37 1 126.0 8.58 1 128.9 18.00 1 130.0 94.11 4 130.9 80.05 3 133.1 3.84 1 134.0 1.95 1 135.1 3.16 1 139.1 4.63 1 140.0 1958.92 74 140.9 8.05 1 143.0 36.79 1 144.9 30.58 1 147.0 38.37 1 149.0 40.37 2 149.9 11.05 1 157.1 38.00 1 158.0 26296.11 999 159.1 103.42 4 161.1 15.00 1 164.0 38.63 1 166.0 8.79 1 168.1 31.27 1 171.0 25.53 1 173.1 46.06 2 174.0 9.42 1 175.0 139.27 5 175.8 3.05 1 177.2 3.84 1 183.0 19.69 1 184.0 27.21 1 185.1 32.21 1 189.1 90.90 3 192.0 11.16 1 193.1 10.37 1 194.2 9.32 1 195.0 13.21 1 196.0 93.37 4 199.1 16.89 1 203.0 14.21 1 206.0 36.95 1 209.1 5.00 1 210.0 1943.91 74 211.0 23.74 1 212.0 37.32 1 213.1 45.69 2 214.1 10.11 1 214.9 6.95 1 227.1 134.27 5 228.0 1644.17 62 229.1 133.74 5 230.1 15.32 1 231.2 17.16 1 237.2 6.37 1 238.0 178.32 7 245.1 46.53 2 255.0 1644.21 62 256.0 764.29 29 256.9 20.53 1 273.0 39.74 2 273.8 7.90 1 292.0 163.11 6 294.9 8.48 1 298.4 4.79 1 316.3 9.79 1 //