ACCESSION: MSBNK-Keio_Univ-KO000920
RECORD_TITLE: Galacturonic acid 1-phosphate; 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 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 30 V

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

PK$SPLASH: splash10-0002-9000000000-a3e2a2883dc50fecf9fc
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  44.700 64356.5 2
  56.800 19802.0 1
  59.100 777228.5 26
  70.900 113861.5 4
  72.900 113861.5 4
  79.100 3425746.0 116
  82.800 44554.5 2
  85.200 1321783.5 45
  87.100 207921.0 7
  95.400 252475.5 9
  96.400 311881.5 11
  97.000 29420821.5 999
  99.300 84158.5 3
  101.400 19802.0 1
  103.000 311881.5 11
  111.100 29703.0 1
  113.300 1831685.0 62
  114.800 123762.5 4
  124.900 74257.5 3
  128.700 133663.5 5
  135.700 14851.5 1
  144.700 29703.0 1
  157.300 74257.5 3
  175.000 579208.5 20
  213.300 103960.5 4
  226.800 14851.5 1
  272.900 14851.5 1
//