MassBank Record: MSBNK-Keio_Univ-KO001820
ACCESSION: MSBNK-Keio_Univ-KO001820
RECORD_TITLE: D-Glucaric 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 209
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ab9-9000000000-20e03e65e2d34a86ffba
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
45.200 89109.0 167
55.200 59406.0 111
57.100 212871.5 398
59.200 534654.0 999
71.100 440594.5 823
73.100 217822.0 407
75.000 113861.5 213
85.400 242574.5 453
88.800 49505.0 93
96.900 74257.5 139
//