MassBank Record: KO000030



 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: KO000030
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-Aspartic acid CH$NAME: L-Aspartate CH$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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9400000000-8769e48d9bcd1478d135 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 42.200 49505.0 3 59.300 94059.5 6 59.800 14851.5 1 69.800 89109.0 5 70.900 2188121.0 129 72.200 331683.5 20 86.300 39604.0 2 88.100 16915858.5 999 113.800 1034654.5 61 114.900 5059411.0 299 131.900 4534658.0 268 //