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MassBank Record: KO000918

Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO000918
RECORD_TITLE: Galacturonic acid 1-phosphate; 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 G066

CH$NAME: Galacturonate 1-phosphate
CH$NAME: 1-Phospho-alpha-D-galacturonate
CH$NAME: D-Galacturonate 1-phosphate
CH$NAME: Galacturonic acid 1-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11O10P
CH$EXACT_MASS: 274.00898
CH$SMILES: OC(=O)C(O1)C(O)C(O)C(O)C1OP(O)(O)=O
CH$IUPAC: InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2+,3+,4-,6+/m0/s1
CH$LINK: CHEBI 17543
CH$LINK: KEGG C04037
CH$LINK: PUBCHEM SID:6740
CH$LINK: INCHIKEY AIQDYKMWENWVQJ-DTEWXJGMSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 273
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00di-0090000000-66b8a3c73febfe3d5870
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  59.100 420792.5 6
  96.800 2480200.5 34
  113.000 74257.5 1
  115.000 19802.0 1
  116.300 14851.5 1
  125.100 133663.5 2
  129.200 237624.0 3
  136.400 69307.0 1
  140.900 49505.0 1
  141.500 24752.5 1
  175.200 1608912.5 22
  200.900 24752.5 1
  212.900 168317.0 2
  227.300 29703.0 1
  229.300 19802.0 1
  237.100 153465.5 2
  273.300 72014923.5 999
//

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