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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)

ACCESSION: KNA00657
RECORD_TITLE: D-Ribose 5-phosphate; LC-ESI-ITFT; MS2; m/z:229.01; NEG
DATE: 2016.01.19 (Created 2009.11.19, modified 2011.08.03)
AUTHORS: Takahashi H, Kanaya S, Ogasawara N, 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$CHROMATOGRAPHY: SOLVENT A 0.1%formate-water
AC$CHROMATOGRAPHY: SOLVENT B 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
//

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