MassBank Record: KO000011



 Adenosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000011
RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 266 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0910000000-815ed65588c07415cd65 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 46.000 29703.0 1 59.100 1138615.0 45 60.200 188119.0 7 85.000 643565.0 25 88.100 34653.5 1 93.100 391089.5 15 95.100 39604.0 2 96.900 128713.0 5 107.000 381188.5 15 113.000 29703.0 1 124.000 14851.5 1 128.800 366337.0 14 130.300 490099.5 19 132.900 29703.0 1 134.000 25405966.0 999 172.100 163366.5 6 205.200 544555.0 21 206.300 4188123.0 165 266.200 29703.0 1 //