MassBank Record: KO000073



 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: KO000073
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: 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 289 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-0390000000-655dfb0c97f01ee6e43f PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 59.200 118812.0 8 71.000 34653.5 2 95.200 460396.5 30 96.200 133663.5 9 96.800 153465.5 10 98.300 19802.0 1 100.900 24752.5 2 103.300 49505.0 3 110.200 14851.5 1 112.200 549505.5 36 112.800 287129.0 19 113.900 297030.0 19 115.300 2103962.5 136 124.100 89109.0 6 125.100 79208.0 5 131.200 1084159.5 70 131.900 4668321.5 302 132.800 128713.0 8 139.100 168317.0 11 141.500 49505.0 3 142.300 14851.5 1 156.000 1608912.5 104 156.600 267327.0 17 157.300 99010.0 6 166.000 59406.0 4 173.400 3029706.0 196 184.400 39604.0 3 185.300 222772.5 14 197.500 49505.0 3 199.700 24752.5 2 200.300 153465.5 10 206.000 44554.5 3 207.000 475248.0 31 209.400 267327.0 17 210.100 2099012.0 136 211.100 2445547.0 158 211.300 1386140.0 90 221.100 44554.5 3 227.000 4143568.5 268 227.600 1381189.5 89 228.500 138614.0 9 229.300 1039605.0 67 235.200 14851.5 1 245.100 108911.0 7 253.100 1767328.5 114 253.500 712872.0 46 254.700 19802.0 1 271.300 15430708.5 999 289.200 2500002.5 162 //