MassBank Record: KNA00657



 D-Ribose 5-phosphate; LC-ESI-ITFT; MS2; m/z:229.01; NEG 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KNA00657
RECORD_TITLE: D-Ribose 5-phosphate; LC-ESI-ITFT; MS2; m/z:229.01; NEG
DATE: 2016.01.19 (2009.11.19, 2011.08.03)
AUTHORS: Takahashi HGraduate School of Information Science, NAIST, Kanaya SGraduate School of Information Science, NAIST, Ogasawara NGraduate School of Information Science, NAIST, Graduate School of Information Science, NAIST
LICENSE: CC BY-SA

CH$NAME: D-Ribose 5-phosphate CH$NAME: Ribose 5-phosphate CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H11O8P CH$EXACT_MASS: 230.01915 CH$SMILES: OC(O1)[C@H](O)[C@H](O)[C@H]1COP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1 CH$LINK: CAS 4300-28-1 CH$LINK: CHEBI 17797 CH$LINK: KEGG C00117 CH$LINK: KNAPSACK C00007473 CH$LINK: NIKKAJI J205.693C CH$LINK: PUBCHEM 3417 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-SOOFDHNKSA-N
AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic AC$INSTRUMENT_TYPE: LC-ESI-ITFT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: COLUMN_NAME TOSOH TSKgel ODS-100V 5um Part no. 21456 AC$CHROMATOGRAPHY: FLOW_GRADIENT 0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile) AC$CHROMATOGRAPHY: FLOW_RATE 0.5 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 6.802423 min AC$CHROMATOGRAPHY: SOLVENT 0.1%formate-water / 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 96.814850 MS$FOCUSED_ION: PRECURSOR_M/Z 229.01
PK$SPLASH: splash10-0002-9100000000-6cbb3e84820a37a47fbb PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 78.814789 689.015869 124 96.814850 5568.064453 999 139.042206 408.750061 73 169.023499 127.200928 23 170.972260 41.547325 7 187.102676 6.861505 1 192.941055 131.454239 24 198.979355 15.730736 3 200.843948 21.560541 4 210.991455 153.395966 28 //