MassBank Record: MSBNK-Keio_Univ-KO001819
ACCESSION: MSBNK-Keio_Univ-KO001819
RECORD_TITLE: D-Glucaric acid; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 209
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-052r-9000000000-fcfaa9b35c8d204ab0ec
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
45.100 113861.5 157
57.100 202970.5 281
59.100 445545.0 616
60.600 9901.0 14
70.700 257426.0 356
72.900 99010.0 137
75.200 84158.5 116
85.300 722773.0 999
86.800 19802.0 27
89.100 133663.5 185
92.300 24752.5 34
110.900 54455.5 75
112.800 9901.0 14
119.400 24752.5 34
132.900 29703.0 41
136.600 9901.0 14
209.100 9901.0 14
//