MassBank Record: PB006010



 Adenosine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB006010
RECORD_TITLE: Adenosine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.03.23, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2621
COMMENT: CONFIDENCE: confident structure

CH$NAME: Adenosine CH$NAME: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H13N5O4 CH$EXACT_MASS: 267.09675 CH$SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O 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: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: PUBCHEM CID:60961
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-b9c204c25a40d0b9d54e PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 119.034 90.090 8 136.060 10000.000 999 137.062 550.551 54 138.064 10.010 0 268.101 390.390 38 269.103 40.040 3 //