MassBank Record: KO000920



 Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //