MassBank Record: KO000009



 Adenosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000009
RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 266 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0940000000-da71247788bf1ba222e2 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 45.800 14851.5 1 59.200 485149.0 16 59.900 54455.5 2 93.000 816832.5 27 94.700 14851.5 1 128.800 2262378.5 74 129.800 9901.0 1 134.000 30544585.0 999 136.200 39604.0 1 154.300 44554.5 1 167.600 29703.0 1 172.100 485149.0 16 183.700 24752.5 1 192.900 49505.0 2 205.400 965347.5 32 206.400 6698026.5 219 229.800 108911.0 4 230.300 331683.5 11 233.200 49505.0 2 266.200 10094069.5 330 //