MassBank Record: KO001174



 Inosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001174
RECORD_TITLE: Inosine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 267 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-052r-2900000000-33d1372d34f6b06e3a2f PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 59.100 123762.5 38 64.900 29703.0 9 78.900 108911.0 33 79.900 207921.0 63 92.100 1425744.0 432 96.700 14851.5 5 103.000 24752.5 8 104.500 14851.5 5 107.900 1861388.0 564 125.000 108911.0 33 126.700 74257.5 23 129.400 103960.5 31 135.200 3297033.0 999 141.000 69307.0 21 143.400 39604.0 12 147.400 34653.5 11 148.800 24752.5 8 165.300 49505.0 15 167.300 49505.0 15 191.700 44554.5 14 207.400 19802.0 6 228.800 19802.0 6 //