MassBank Record: KO000940



 Ganciclovir; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000940
RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 254 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000j-9610000000-c3053bd735d9f92930bf PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 35.100 59406.0 2 45.900 9901.0 1 59.000 94059.5 4 70.900 1945546.5 81 72.100 64356.5 3 72.900 9901.0 1 82.800 9901.0 1 88.200 23886162.5 999 88.700 430693.5 18 92.500 103960.5 4 93.000 84158.5 4 99.100 366337.0 15 101.200 341584.5 14 107.200 69307.0 3 108.000 128713.0 5 116.200 668317.5 28 118.900 207921.0 9 126.000 49505.0 2 129.000 410891.5 17 132.700 202970.5 8 134.700 49505.0 2 144.300 29703.0 1 145.700 1301981.5 54 146.200 15623778.0 653 148.300 14851.5 1 150.200 1316833.0 55 162.100 386139.0 16 164.400 14851.5 1 185.800 39604.0 2 218.400 4079212.0 171 254.300 158416.0 7 //