MassBank Record: KO000922



 Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000922
RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 273 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-e2a2438bc2019368c05c PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 43.300 19802.0 1 45.300 44554.5 3 55.200 79208.0 5 57.100 212871.5 14 59.300 881189.0 59 71.100 326733.0 22 73.200 123762.5 8 79.000 14945559.5 999 83.100 99010.0 7 85.200 549505.5 37 86.900 153465.5 10 97.000 5608916.5 375 99.000 89109.0 6 106.000 9901.0 1 113.200 34653.5 2 //