MassBank Record: KO000013



 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: KO000013
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 266 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-053r-1900000000-2c12434eaabba59a0a6c PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 59.300 504951.0 84 59.900 108911.0 18 79.200 59406.0 10 80.000 74257.5 12 85.100 79208.0 13 91.900 707921.5 117 107.200 3138617.0 520 130.000 89109.0 15 134.000 6024758.5 999 189.900 49505.0 8 206.400 188119.0 31 //