MassBank Record: KO000793



 Formiminoaspartate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000793
RECORD_TITLE: Formiminoaspartate; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID F025

CH$NAME: Formiminoaspartate CH$NAME: N-Formimidoyl-L-aspartate CH$NAME: N-Formimino-L-aspartate CH$NAME: Formiminoaspartic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H8N2O4 CH$EXACT_MASS: 160.04841 CH$SMILES: N=CN[C@@H](CC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 CH$LINK: CHEBI 18387 CH$LINK: KEGG C03409 CH$LINK: PUBCHEM SID:6238
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 159 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-0208d1ebc49f0d02141a PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 41.300 381188.5 472 42.200 79208.0 98 43.300 806931.5 999 58.400 19802.0 25 59.000 54455.5 67 71.200 29703.0 37 78.800 24752.5 31 //