MassBank Record: KO002109



 Argininosuccinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002109
RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:20 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: N(omega)-(L-Arginino)succinate CH$NAME: L-Arginosuccinic acid CH$NAME: L-Argininosuccinate CH$NAME: L-Argininosuccinic acid CH$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$LINK: PUBCHEM SID:6235
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 291 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-0590000000-80cd6a7bf03dd86781b0 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 69.800 39604.0 4 71.200 39604.0 4 74.200 89109.0 10 88.100 801981.0 90 88.700 74257.5 8 98.000 24752.5 3 105.000 89109.0 10 112.000 54455.5 6 113.000 79208.0 9 115.300 435644.0 49 116.300 1123763.5 126 121.000 34653.5 4 131.000 173267.5 19 132.700 108911.0 12 133.000 995050.5 111 134.300 133663.5 15 140.300 29703.0 3 142.600 24752.5 3 144.100 24752.5 3 148.300 24752.5 3 153.100 44554.5 5 157.300 103960.5 12 158.100 1292080.5 145 159.100 688119.5 77 165.300 34653.5 4 170.300 49505.0 6 171.200 108911.0 12 174.900 34653.5 4 176.100 1004951.5 113 201.500 14851.5 2 204.100 84158.5 9 210.300 44554.5 5 211.300 39604.0 4 215.200 49505.0 6 228.100 504951.0 57 231.500 94059.5 11 246.200 326733.0 37 273.600 871288.0 98 274.300 173267.5 19 291.500 8920801.0 999 //