MassBank Record: KO001818



 D-Glucaric 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: KO001818
RECORD_TITLE: D-Glucaric 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 209 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9620000000-1bde5d31aa638eab1df1 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 59.200 202970.5 143 85.200 1420793.5 999 89.000 94059.5 66 98.700 24752.5 17 100.900 19802.0 14 102.600 64356.5 45 111.400 103960.5 73 119.200 44554.5 31 126.600 168317.0 118 128.700 108911.0 77 132.900 143564.5 101 140.700 39604.0 28 147.300 69307.0 49 148.700 39604.0 28 173.600 44554.5 31 191.200 450495.5 317 209.100 504951.0 355 //