MassBank Record: KO002063



 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: KO002063
RECORD_TITLE: 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 A017
COMMENT: User reports peaks may be CE:40 V see https://github.com/MassBank/MassBank-data/issues/10

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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 134 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00dl-9000000000-6c0d44d4e3853e5701a3 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 28.600 24752.5 52 43.200 277228.0 583 69.900 272277.5 572 72.100 74257.5 156 73.900 475248.0 999 77.100 29703.0 62 79.200 34653.5 73 87.900 74257.5 156 89.700 99010.0 208 161.700 44554.5 94 //