MassBank Record: KO000233



 N-Acetyl-L-aspartic 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: KO000233
RECORD_TITLE: N-Acetyl-L-aspartic 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 A142

CH$NAME: N-Acetylaspartate CH$NAME: N-Acetyl-L-aspartate CH$NAME: N-Acetyl-L-aspartic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H9NO5 CH$EXACT_MASS: 175.04807 CH$SMILES: CC(=O)N[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 CH$LINK: CAS 997-55-7 CH$LINK: CHEBI 16953 CH$LINK: KEGG C01042 CH$LINK: NIKKAJI J62.824G CH$LINK: PUBCHEM SID:4284
AC$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$FOCUSED_ION: PRECURSOR_M/Z 174 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-0900000000-e8fc0d2735d5a8ce1818 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 59.000 321782.5 1 59.300 123762.5 1 88.100 2089111.0 9 97.300 14851.5 1 112.300 341584.5 2 114.200 10138624.0 45 115.100 1866338.5 8 130.000 7415849.0 33 131.900 301980.5 1 138.200 19802.0 1 155.900 3470300.5 15 156.600 222772.5 1 173.500 6277234.0 28 174.100 225990325.0 999 //