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MassBank Record: KO001427

Mucic 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: KO001427
RECORD_TITLE: Mucic 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 M065

CH$NAME: Mucate
CH$NAME: Galactaric acid
CH$NAME: Galactarate
CH$NAME: Mucic 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$IUPAC: InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
CH$LINK: CAS 526-99-8
CH$LINK: CHEBI 30852
CH$LINK: KEGG C01807
CH$LINK: NIKKAJI J6.665F
CH$LINK: PUBCHEM SID:4932
CH$LINK: INCHIKEY DSLZVSRJTYRBFB-DUHBMQHGSA-N
CH$LINK: COMPTOX DTXSID7048740

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$SPLASH: splash10-0a4i-0190000000-53cb6532b098f7615896
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  59.100 103960.5 13
  85.200 84158.5 10
  93.100 34653.5 4
  126.800 396040.0 49
  129.500 24752.5 3
  132.700 14851.5 2
  148.800 153465.5 19
  154.800 14851.5 2
  173.200 44554.5 6
  191.500 252475.5 31
  209.300 8014859.5 999
//

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