MassBank Record: KO001173



 Inosine; 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: KO001173
RECORD_TITLE: Inosine; 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 267 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0910000000-c6d9b3470f4bf20f2031 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 59.300 138614.0 16 64.900 14851.5 2 79.000 173267.5 20 92.100 668317.5 77 103.000 103960.5 12 108.000 861387.0 99 127.100 34653.5 4 129.000 49505.0 6 132.900 19802.0 2 133.900 34653.5 4 135.100 8702979.0 999 143.100 34653.5 4 150.000 19802.0 2 153.200 19802.0 2 161.200 34653.5 4 165.500 118812.0 14 167.200 74257.5 9 188.800 24752.5 3 191.200 24752.5 3 206.500 94059.5 11 207.300 242574.5 28 229.300 356436.0 41 230.900 450495.5 52 //