MassBank Record: KO001127



 threo-beta-Hydroxyaspartic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001127
RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9500000000-bd2d4effc0c5be856a9d PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 41.800 34653.5 73 58.200 24752.5 52 64.900 128713.0 271 72.900 138614.0 291 77.200 227723.0 479 85.900 79208.0 167 92.200 475248.0 999 104.000 79208.0 167 104.900 108911.0 229 115.000 44554.5 94 120.200 84158.5 177 133.200 128713.0 271 147.700 222772.5 468 //