MassBank Record: KO000072



 Argininosuccinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000072
RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 289 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0090000000-27e7b2225bca7ed0bfef PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 59.100 39604.0 1 103.100 79208.0 1 114.200 29703.0 1 115.200 64356.5 1 130.900 24752.5 1 131.700 49505.0 1 132.000 99010.0 2 156.700 59406.0 1 158.000 54455.5 1 158.700 9901.0 1 173.200 59406.0 1 185.000 29703.0 1 206.200 29703.0 1 206.900 113861.5 2 209.900 108911.0 2 211.400 64356.5 1 226.900 227723.0 4 227.500 113861.5 2 229.000 207921.0 3 229.200 222772.5 4 245.000 59406.0 1 253.100 168317.0 3 254.000 113861.5 2 256.300 94059.5 2 256.800 148515.0 2 271.300 12034665.5 202 274.900 9901.0 1 289.300 59549564.5 999 //