MassBank Record: KO000919



 Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //