MassBank Record: KO000074



 Argininosuccinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000074
RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A039

CH$NAME: Argininosuccinate CH$NAME: L-Arginosuccinic acid CH$NAME: N-(L-Arginino)succinate CH$NAME: L-Argininosuccinic acid CH$NAME: L-Argininosuccinate CH$NAME: N(omega)-(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$LINK: PUBCHEM SID:6235
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 289 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-1910000000-8d0c94b1fb9473ea0593 PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 41.000 54455.5 6 59.200 49505.0 6 70.900 301980.5 34 79.100 163366.5 19 83.300 14851.5 2 85.900 34653.5 4 88.100 1039605.0 118 95.100 1103961.5 126 96.000 633664.0 72 97.200 425743.0 48 97.400 148515.0 17 98.400 54455.5 6 109.100 99010.0 11 112.200 1504952.0 171 113.000 782179.0 89 114.100 752476.0 86 115.100 2787131.5 317 123.900 84158.5 10 124.700 163366.5 19 125.000 212871.5 24 128.600 39604.0 5 131.000 8787137.5 999 131.900 7108918.0 808 132.900 79208.0 9 137.500 19802.0 2 137.900 128713.0 15 139.100 158416.0 18 140.900 133663.5 15 141.500 29703.0 3 148.100 44554.5 5 149.100 212871.5 24 153.100 49505.0 6 154.900 49505.0 6 156.000 2336636.0 266 156.600 222772.5 25 162.700 64356.5 7 165.900 99010.0 11 166.500 118812.0 14 167.200 118812.0 14 169.100 24752.5 3 173.100 2118814.0 241 173.800 54455.5 6 183.400 59406.0 7 185.100 881189.0 100 192.800 29703.0 3 197.200 39604.0 5 200.500 49505.0 6 200.800 9901.0 1 209.500 158416.0 18 210.200 465347.0 53 211.400 1306932.0 149 227.100 435644.0 50 228.100 24752.5 3 229.200 891090.0 101 244.800 19802.0 2 253.500 232673.5 26 261.200 34653.5 4 271.000 188119.0 21 //