MassBank Record: KO002042



 Adenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002042
RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A007

CH$NAME: Adenosine CH$COMPOUND_CLASS: N/A 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$LINK: CHEMPDB ADN CH$LINK: KEGG C00212 CH$LINK: NIKKAJI J4.501B CH$LINK: PUBCHEM SID:3512
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 268 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-2900000000-60219ac7d9220e297492 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 41.100 113861.5 5 43.100 217822.0 9 44.800 183168.5 8 55.300 678218.5 29 57.200 970298.0 42 59.000 232673.5 10 61.400 351485.5 15 69.100 683169.0 30 71.200 683169.0 30 73.100 500000.5 22 74.000 202970.5 9 76.700 24752.5 1 78.900 59406.0 3 79.100 79208.0 3 84.900 490099.5 21 92.000 118812.0 5 93.100 113861.5 5 94.300 891090.0 39 97.100 54455.5 2 104.300 19802.0 1 109.400 361386.5 16 111.800 14851.5 1 119.100 5554461.0 241 121.200 301980.5 13 134.200 49505.0 2 136.100 23000023.0 999 137.300 257426.0 11 //