MassBank Record: KO002111



 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: KO002111
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: 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 291 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9200000000-30fd87d3cca19b106884 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 56.900 9901.0 2 59.800 34653.5 6 70.000 6257432.0 999 71.100 247525.0 40 72.100 232673.5 37 73.900 202970.5 32 81.200 9901.0 2 88.200 1430694.5 228 89.000 19802.0 3 95.500 39604.0 6 96.700 19802.0 3 97.300 54455.5 9 98.300 207921.0 33 112.100 193069.5 31 113.300 475248.0 76 113.800 99010.0 16 115.100 267327.0 43 116.300 970298.0 155 130.900 103960.5 17 134.000 163366.5 26 140.900 39604.0 6 144.700 29703.0 5 158.100 64356.5 10 166.100 9901.0 2 176.300 108911.0 17 246.500 64356.5 10 //