MassBank Record: KO000942



 Ganciclovir; 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: KO000942
RECORD_TITLE: Ganciclovir; 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 G088

CH$NAME: Ganciclovir CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H13N5O4 CH$EXACT_MASS: 255.09675 CH$SMILES: OCC(CO)OCn(c2)c(N=1)c(n2)C(=O)NC(N)1 CH$IUPAC: InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17) CH$LINK: KEGG C07019
AC$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$FOCUSED_ION: PRECURSOR_M/Z 254 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9000000000-168468ed262e2df62267 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 35.100 143564.5 25 41.900 84158.5 15 44.100 1227724.0 218 59.100 202970.5 36 64.900 84158.5 15 66.100 34653.5 6 71.100 5633669.0 999 72.000 252475.5 45 73.000 24752.5 4 77.900 34653.5 6 79.800 14851.5 3 88.200 2475250.0 439 90.300 24752.5 4 92.000 183168.5 32 92.500 44554.5 8 98.000 34653.5 6 99.000 1405942.0 249 107.900 128713.0 23 114.100 34653.5 6 116.100 188119.0 33 119.000 79208.0 14 126.000 14851.5 3 133.000 287129.0 51 146.300 336634.0 60 //