MassBank Record: KO000076



 Argininosuccinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000076
RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 289 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001r-8900000000-4e5455a5af85574ac9df PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 41.100 321782.5 74 51.900 14851.5 3 53.700 24752.5 6 59.100 163366.5 37 67.000 74257.5 17 70.000 232673.5 53 71.000 876238.5 201 72.000 69307.0 16 79.200 277228.0 64 81.000 39604.0 9 82.300 14851.5 3 83.000 69307.0 16 85.500 118812.0 27 88.300 2549507.5 584 95.200 321782.5 74 96.300 386139.0 88 96.800 148515.0 34 98.400 113861.5 26 109.000 54455.5 12 110.100 14851.5 3 112.300 202970.5 46 113.100 108911.0 25 114.300 386139.0 88 115.100 732674.0 168 121.800 9901.0 2 124.800 59406.0 14 131.000 4361390.5 999 132.100 425743.0 98 141.400 24752.5 6 156.200 49505.0 11 //