MassBank Record: KNA00226



 Cytidine; LC-ESI-ITFT; MS2; m/z:112.05; POS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KNA00226
RECORD_TITLE: Cytidine; LC-ESI-ITFT; MS2; m/z:112.05; 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$NAME: Cytidine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C9H13N3O5 CH$EXACT_MASS: 243.08552 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 CH$IUPAC: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 CH$LINK: CAS 65-46-3 CH$LINK: CHEBI 17562 CH$LINK: KEGG C00475 CH$LINK: NIKKAJI J4.837B CH$LINK: PUBCHEM 3758 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-XVFCMESISA-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 5.469123 min AC$CHROMATOGRAPHY: SOLVENT 0.1%formate-water / 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 94.948654 MS$FOCUSED_ION: PRECURSOR_M/Z 112.05
PK$SPLASH: splash10-0006-9000000000-8155621584c25975ffa1 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 69.008301 42.532448 240 82.918579 8.973482 51 91.542122 82.139267 464 94.030441 17.997587 102 94.948654 176.679443 999 //