MassBank Record: KO001126



 threo-beta-Hydroxyaspartic 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: KO001126
RECORD_TITLE: threo-beta-Hydroxyaspartic 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 H086

CH$NAME: threo-b-Hydroxyaspartate CH$NAME: erythro-3-Hydroxy-L-aspartic acid CH$NAME: erythro-3-Hydroxy-L-aspartate CH$NAME: threo-beta-Hydroxyaspartic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H7NO5 CH$EXACT_MASS: 149.03242 CH$SMILES: OC(=O)C(N)C(O)C(O)=O CH$IUPAC: InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10) CH$LINK: KEGG C03961 CH$LINK: PUBCHEM SID:6682
AC$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$FOCUSED_ION: PRECURSOR_M/Z 148 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-2900000000-23f4fe6f3298dfde63f1 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 73.300 163366.5 37 77.100 168317.0 38 86.000 514852.0 117 92.100 886139.5 202 101.800 84158.5 19 104.400 336634.0 77 105.000 9901.0 2 114.900 509901.5 116 119.900 89109.0 20 133.000 148515.0 34 147.900 4386143.0 999 //