ACCESSION: MSBNK-Keio_Univ-KO000919
RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0002-9100000000-8b09c16ee66c15b300d6
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  44.700 19802.0 1
  59.300 400990.5 12
  71.000 34653.5 1
  78.800 470297.5 14
  84.900 202970.5 6
  95.000 34653.5 1
  96.000 44554.5 1
  96.900 34341618.5 999
  103.100 222772.5 6
  113.000 2336636.0 68
  114.900 69307.0 2
  125.300 168317.0 5
  129.400 247525.0 7
  135.700 34653.5 1
  142.800 29703.0 1
  144.700 19802.0 1
  157.100 29703.0 1
  162.600 9901.0 1
  175.000 4485153.0 130
  190.800 74257.5 2
  192.600 29703.0 1
  195.400 19802.0 1
  199.500 19802.0 1
  213.000 118812.0 3
  227.200 39604.0 1
  237.100 39604.0 1
  239.600 9901.0 1
  273.400 3658419.5 106
//