MassBank Record: KNA00119



 Adenosine; LC-ESI-ITFT; MS2; m/z:269.11; POS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KNA00119
RECORD_TITLE: Adenosine; LC-ESI-ITFT; MS2; m/z:269.11; 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$NAME: Adenosine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H13N5O4 CH$EXACT_MASS: 267.09675 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 CH$IUPAC: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 CH$LINK: CAS 58-61-7 CH$LINK: CHEBI 16335 CH$LINK: KEGG C00212 CH$LINK: KNAPSACK C00007444 CH$LINK: NIKKAJI J4.501B CH$LINK: PUBCHEM 3512 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N
AC$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$CHROMATOGRAPHY: RETENTION_TIME 5.481518 min AC$CHROMATOGRAPHY: SOLVENT 0.1%formate-water / 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 136.965866 MS$FOCUSED_ION: PRECURSOR_M/Z 269.11
PK$SPLASH: splash10-000i-0900000000-9559aa07ec13a688fb16 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 119.100723 73.766914 1 136.024063 79265.320313 838 136.965866 94539.242188 999 202.204269 93.304291 1 251.123276 70.855270 1 //