MassBank Record: KO001821



 D-Glucaric acid; 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: KO001821
RECORD_TITLE: D-Glucaric acid; LC-ESI-QQ; MS2; CE:50 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 S025

CH$NAME: Saccharate CH$NAME: D-Glucarate CH$NAME: L-Gularic acid CH$NAME: D-Glucaric acid CH$NAME: d-Saccharic acid CH$NAME: D-Glucosaccharic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H10O8 CH$EXACT_MASS: 210.03757 CH$SMILES: OC(=O)C(O)C(O)C(O)C(O)C(O)=O CH$IUPAC: InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1 CH$LINK: CAS 87-73-0 CH$LINK: CHEBI 30612 CH$LINK: CHEMPDB GKR CH$LINK: KEGG C00818 CH$LINK: NIKKAJI J9.318A CH$LINK: PUBCHEM SID:4076
AC$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$FOCUSED_ION: PRECURSOR_M/Z 209 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ab9-9000000000-dd03e436136ea5ad38c4 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 43.200 24752.5 86 45.200 118812.0 413 54.900 29703.0 103 56.800 34653.5 121 59.000 287129.0 999 71.000 173267.5 603 72.800 94059.5 327 //