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MassBank Record: KO000921

Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO000921
RECORD_TITLE: Galacturonic acid 1-phosphate; 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 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 40 V

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

PK$SPLASH: splash10-002b-9000000000-cec5ef8f4b325cb0ac9a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  51.300 24752.5 2
  55.200 49505.0 4
  57.000 113861.5 8
  59.100 1019803.0 74
  69.100 34653.5 3
  70.900 237624.0 17
  73.200 123762.5 9
  74.800 39604.0 3
  78.900 11029714.0 801
  84.300 29703.0 2
  85.200 1009902.0 73
  86.800 262376.5 19
  89.100 19802.0 1
  95.200 118812.0 9
  97.100 13752489.0 999
  99.100 103960.5 8
  102.600 44554.5 3
  113.300 272277.5 20
  114.900 64356.5 5
  117.000 19802.0 1
  129.000 9901.0 1
  135.900 9901.0 1
//

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