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) \n

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
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 //