MassBank Record: KO000012



 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: KO000012
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 266 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-1910000000-bbdd67de0fcb7c302c8f PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 35.200 24752.5 2 59.100 881189.0 57 60.300 123762.5 8 79.100 34653.5 2 85.300 356436.0 23 92.200 301980.5 20 93.200 128713.0 8 95.200 19802.0 1 97.200 113861.5 7 107.400 1945546.5 126 128.000 24752.5 2 130.000 311881.5 20 134.000 15425758.0 999 190.300 39604.0 3 205.200 262376.5 17 206.400 1896041.5 123 //