MassBank Record: KNA00656



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

ACCESSION: KNA00656
RECORD_TITLE: D-Ribose 5-phosphate; LC-ESI-ITFT; MS; 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$MASS_SPECTROMETRY: MS_TYPE MS AC$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 6.792098 min AC$CHROMATOGRAPHY: SOLVENT 0.1%formate-water / 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 229.010895
PK$SPLASH: splash10-056r-0090700000-e496f413e3c878dd644f PK$NUM_PEAK: 288 PK$PEAK: m/z int. rel.int. 112.985648 1811.222778 1 138.974381 3687.828125 1 138.977476 5656.462402 2 138.979953 167340.453125 61 138.982429 5918.443359 2 138.985525 1439.210449 1 139.006578 1894.521606 1 139.983341 2292.835449 1 150.979747 3934.751953 1 158.925159 1993.365356 1 160.841743 2259.206055 1 162.838737 1857.276733 1 167.011163 2934.966797 1 168.990385 21694.767578 8 170.893094 1405.491455 1 180.948271 2886.410645 1 184.347402 1511.203369 1 184.876279 1790.422241 1 186.865012 14877.283203 5 188.861978 4084.901855 1 192.990127 35922.632813 13 194.873397 1430.624268 1 197.021363 2687.087402 1 198.917443 1458.833740 1 199.001217 1420.746948 1 200.906649 2027.952271 1 211.000652 5931.313965 2 212.902908 1895.407349 1 222.959105 1807.430786 1 228.830292 4744.625000 2 228.875424 17410.591797 6 228.913372 1735.128784 1 228.946747 1373.725952 1 228.950674 14606.164063 5 228.955256 1912.685425 1 228.960492 3871.632813 1 228.964420 1992.691528 1 228.972275 2237.251953 1 228.974893 2180.234863 1 228.977511 3417.825684 1 228.980130 2690.513672 1 228.982749 3559.642090 1 228.985367 3990.341309 1 228.987331 2323.762695 1 228.989295 5003.764160 2 228.993878 10613.636719 4 228.995187 9841.415039 4 228.999770 21958.523438 8 229.005663 71630.000000 26 229.010901 2726524.500000 999 229.016139 78073.039063 29 229.022687 20176.134766 7 229.025306 4712.048340 2 229.027271 12862.666992 5 229.032510 4703.921387 2 229.035784 3388.321777 1 229.037749 5177.672852 2 229.040368 3161.230957 1 229.043643 2604.379883 1 229.046917 1606.703125 1 229.060671 2862.634277 1 229.071151 14732.020508 5 229.074426 1525.801270 1 229.192379 4734.645020 2 230.006103 1628.284546 1 230.008739 3741.385254 1 230.014671 116917.414063 43 230.872543 4148.735840 2 231.015104 30426.396484 11 242.917341 4967.605469 2 247.021531 2923.802734 1 256.892587 1950.057983 1 258.886232 17993.853516 7 260.883270 3918.156250 1 272.865800 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422.917225 2503.158203 1 422.966525 1742.646606 1 426.021747 3476.233398 1 427.040289 2510.147949 1 429.019519 1487.272217 1 441.019284 6174.723633 2 442.925724 2320.934082 1 442.936291 1687.089844 1 452.928069 9914.061523 4 458.517396 2277.560547 1 458.860757 8131.628906 3 458.886757 1673.378418 1 458.935048 1789.673706 1 458.957339 2128.611816 1 458.964770 1688.258057 1 458.970343 2474.004883 1 458.981489 5788.747070 2 458.987063 5715.853516 2 458.998210 11381.876953 4 459.005642 3063.046875 1 459.014931 37390.644531 14 459.029796 2090388.000000 766 459.044661 43891.062500 16 459.063243 12312.455078 5 459.070676 3348.273438 1 459.078109 7851.986328 3 459.083685 3100.345215 1 459.091118 2696.045410 1 459.107845 2623.498535 1 459.124572 1817.135376 1 459.128289 1523.866333 1 459.200786 8063.444336 3 459.544916 2192.880371 1 460.018027 3666.871582 1 460.032940 230689.343750 85 460.047854 4833.368164 2 461.033767 53399.296875 20 461.048730 1577.054688 1 462.035987 2952.517090 1 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