MassBank Record: KO000075



 Argininosuccinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000075
RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 289 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-3900000000-26d6466903550c40fde6 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 41.300 232673.5 24 59.100 99010.0 10 67.900 34653.5 4 69.200 44554.5 5 70.000 272277.5 28 71.000 787129.5 81 71.800 64356.5 7 78.900 217822.0 22 83.200 74257.5 8 83.400 74257.5 8 85.300 79208.0 8 86.300 44554.5 5 88.200 2787131.5 287 94.100 34653.5 4 95.000 717822.5 74 96.300 762377.0 78 96.900 212871.5 22 97.900 202970.5 21 109.200 69307.0 7 110.200 64356.5 7 112.000 717822.5 74 113.300 207921.0 21 114.000 1202971.5 124 115.300 1470298.5 151 116.100 19802.0 2 124.400 84158.5 9 125.100 262376.5 27 129.200 39604.0 4 131.000 9717831.5 999 131.900 2638616.5 271 137.100 24752.5 3 138.400 84158.5 9 139.400 34653.5 4 141.500 173267.5 18 149.000 54455.5 6 152.800 14851.5 2 156.200 564357.0 58 158.000 44554.5 5 163.000 24752.5 3 167.500 19802.0 2 173.300 148515.0 15 185.300 396040.0 41 193.600 9901.0 1 216.800 24752.5 3 //