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MassBank Record: KO001429

Mucic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO001429
RECORD_TITLE: Mucic 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 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 30 V

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

PK$SPLASH: splash10-000i-9000000000-34bca663662f41b51683
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  45.300 34653.5 42
  57.300 128713.0 157
  59.300 410891.5 503
  70.900 346535.0 424
  72.900 49505.0 61
  75.100 74257.5 91
  85.000 816832.5 999
  87.200 44554.5 54
  89.000 341584.5 418
  100.700 19802.0 24
  114.900 59406.0 73
  132.900 84158.5 103
  148.800 34653.5 42
  209.100 64356.5 79
//

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