MassBank Record: KO002064



 L-Aspartic 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: KO002064
RECORD_TITLE: L-Aspartic 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 A017

CH$NAME: Asp CH$NAME: L-Aspartate CH$NAME: L-Aspartic acid CH$NAME: 2-Aminosuccinic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H7NO4 CH$EXACT_MASS: 133.03751 CH$SMILES: OC(=O)CC(N)C(O)=O CH$IUPAC: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 CH$LINK: CAS 56-84-8 CH$LINK: CHEBI 17053 CH$LINK: CHEMPDB ASP CH$LINK: KEGG C00049 CH$LINK: NIKKAJI J9.169C CH$LINK: PUBCHEM SID:3351
AC$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$FOCUSED_ION: PRECURSOR_M/Z 134 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-fb577022eba9d463f932 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 42.900 232673.5 23 46.200 183168.5 18 56.700 99010.0 10 58.800 14851.5 1 60.200 14851.5 1 61.700 34653.5 3 69.900 1430694.5 141 71.200 257426.0 25 72.000 287129.0 28 73.000 24752.5 2 74.100 10113871.5 999 75.200 202970.5 20 81.000 99010.0 10 84.800 84158.5 8 88.100 4603965.0 455 88.600 143564.5 14 98.900 1331684.5 132 100.000 24752.5 2 101.900 267327.0 26 104.700 49505.0 5 115.900 405941.0 40 116.900 356436.0 35 133.800 198020.0 20 //