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MassBank Record: KO001817

D-Glucaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001817
RECORD_TITLE: D-Glucaric acid; LC-ESI-QQ; MS2; CE:10 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$LINK: PUBCHEM SID:4076
CH$LINK: INCHIKEY DSLZVSRJTYRBFB-LLEIAEIESA-N
CH$LINK: COMPTOX DTXSID60859455

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 209
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0a4i-0390000000-f3fdb1545009312f6a25
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  59.000 123762.5 27
  85.100 69307.0 15
  126.700 866337.5 187
  137.000 39604.0 9
  140.800 143564.5 31
  146.900 39604.0 9
  148.900 69307.0 15
  150.700 69307.0 15
  191.100 410891.5 88
  195.000 29703.0 6
  209.100 4638618.5 999
//

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