MassBank Record: KO000941



 Ganciclovir; 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: KO000941
RECORD_TITLE: Ganciclovir; 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 254 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-007a-9300000000-392c976e03c2a82984cc PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 35.000 44554.5 5 44.100 698020.5 81 59.100 252475.5 29 69.400 9901.0 1 70.900 5549510.5 645 72.500 19802.0 2 82.100 19802.0 2 88.300 8599018.5 999 88.700 178218.0 21 92.100 188119.0 22 92.600 64356.5 7 98.200 158416.0 18 99.000 1851487.0 215 100.700 282178.5 33 106.700 44554.5 5 108.100 188119.0 22 116.200 1044555.5 121 118.900 282178.5 33 119.800 34653.5 4 125.800 54455.5 6 127.900 39604.0 5 128.900 287129.0 33 133.000 544555.0 63 142.000 9901.0 1 144.900 24752.5 3 146.100 4603965.0 535 149.700 59406.0 7 150.100 188119.0 22 162.000 74257.5 9 218.300 44554.5 5 //