MassBank Record: KO001128



 threo-beta-Hydroxyaspartic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001128
RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-06vi-9300000000-b25206653e712a8dfa89 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 40.200 29703.0 272 52.600 9901.0 91 64.800 108911.0 999 65.900 9901.0 91 72.900 44554.5 409 76.900 108911.0 999 78.700 19802.0 182 92.500 14851.5 136 105.200 89109.0 817 118.900 9901.0 91 133.400 19802.0 182 //