MassBank Record: KO002041



 Adenosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002041
RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 268 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-1900000000-23bcec0b5be3fa4e10ed PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 41.200 69307.0 1 42.900 178218.0 2 45.100 128713.0 2 55.200 772278.0 10 57.200 1747526.5 23 59.100 490099.5 6 61.000 420792.5 6 65.800 39604.0 1 68.800 777228.5 10 71.200 549505.5 7 73.000 1138615.0 15 73.900 722773.0 10 78.600 39604.0 1 78.900 89109.0 1 84.900 1173268.5 16 87.200 138614.0 2 89.700 29703.0 1 92.400 19802.0 1 93.000 44554.5 1 94.100 400990.5 5 97.200 321782.5 4 107.100 29703.0 1 109.300 178218.0 2 115.100 113861.5 2 119.100 2361388.5 31 121.200 1029704.0 14 133.200 39604.0 1 134.600 69307.0 1 136.000 75549580.5 999 137.100 173267.5 2 138.300 128713.0 2 148.400 19802.0 1 163.200 64356.5 1 177.800 54455.5 1 //