MassBank Record: MSBNK-Keio_Univ-KO003043
ACCESSION: MSBNK-Keio_Univ-KO003043
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$LINK: KEGG
C07019
CH$LINK: INCHIKEY
IRSCQMHQWWYFCW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8041032
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 256
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01pc-3900000000-81b422bf6764161bcb0f
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
57.000 39604.0 68
77.400 49505.0 85
82.500 49505.0 85
83.300 14851.5 25
91.000 351485.5 601
94.000 49505.0 85
106.200 14851.5 25
110.400 297030.0 508
118.800 24752.5 42
122.900 19802.0 34
124.800 44554.5 76
128.400 14851.5 25
135.100 584159.0 999
142.300 128713.0 220
149.000 54455.5 93
152.000 138614.0 237
153.200 64356.5 110
163.000 14851.5 25
//