MassBank Record: KNA00218



 Ribitol; LC-ESI-ITFT; MS2; m/z:135.07; POS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KNA00218
RECORD_TITLE: Ribitol; LC-ESI-ITFT; MS2; m/z:135.07; POS
DATE: 2016.01.19 (2009.11.17, 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$NAME: Ribitol CH$NAME: Adonitol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H12O5 CH$EXACT_MASS: 152.06847 CH$SMILES: OCC([H])(O)C([H])(O)C([H])(O)CO CH$IUPAC: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5- CH$LINK: CAS 488-81-3 CH$LINK: CHEBI 15963 CH$LINK: KEGG C00474 CH$LINK: KNAPSACK C00001171 CH$LINK: NIKKAJI J6.033J CH$LINK: PUBCHEM 3757 CH$LINK: INCHIKEY HEBKCHPVOIAQTA-ZXFHETKHSA-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 POSITIVE 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 5.026190 min AC$CHROMATOGRAPHY: SOLVENT 0.1%formate-water / 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 117.016785 MS$FOCUSED_ION: PRECURSOR_M/Z 135.07
PK$SPLASH: splash10-014j-8900000000-e69cc8758936cd2cbcea PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 56.952724 156.515167 175 58.935917 4.820777 5 69.026291 28.672569 32 71.043434 23.920780 27 73.091492 18.901535 21 75.154556 4.601732 5 88.090469 1.765734 2 89.042221 24.749067 28 90.061195 26.699480 30 98.956818 665.365234 745 102.984940 13.065595 15 106.963074 47.413795 53 114.013565 16.747732 19 115.313583 3.716321 4 117.016785 892.284912 999 119.139130 4.367261 5 122.711014 5.009601 6 123.406754 3.359276 4 125.021729 2.850339 3 125.839890 1.548300 2 //