MassBank Record: KO001170



 Inosine; 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: KO001170
RECORD_TITLE: Inosine; 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 I003

CH$NAME: Inosine CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12N4O5 CH$EXACT_MASS: 268.08077 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2 CH$IUPAC: InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 CH$LINK: CAS 58-63-9 CH$LINK: CHEBI 17596 CH$LINK: KEGG C00294 CH$LINK: NIKKAJI J1.388I CH$LINK: PUBCHEM SID:3588
AC$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$FOCUSED_ION: PRECURSOR_M/Z 267 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0090000000-00981efb4a9571473866 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 45.500 24752.5 1 59.100 64356.5 3 103.100 99010.0 4 116.900 108911.0 4 134.900 514852.0 21 146.200 118812.0 5 165.100 24752.5 1 173.200 143564.5 6 205.600 212871.5 9 206.400 148515.0 6 207.500 495050.0 20 221.500 103960.5 4 223.400 108911.0 4 229.100 1549506.5 63 230.900 2425745.0 99 235.300 29703.0 1 249.400 44554.5 2 251.600 34653.5 1 267.200 24569331.5 999 //