ACCESSION: MSBNK-Keio_Univ-KO003039
RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:10 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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 256
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4r-0490000000-0a16ac79577fd707fd15
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  76.600 24752.5 4
  90.900 257426.0 42
  94.200 39604.0 7
  104.000 24752.5 4
  114.700 14851.5 2
  119.100 94059.5 15
  121.300 29703.0 5
  142.000 564357.0 93
  143.300 59406.0 10
  148.100 396040.0 65
  149.900 49505.0 8
  152.100 1851487.0 305
  165.300 628713.5 103
  166.300 99010.0 16
  167.200 44554.5 7
  169.500 79208.0 13
  177.000 14851.5 2
  180.800 14851.5 2
  182.800 24752.5 4
  183.300 74257.5 12
  195.100 232673.5 38
  196.200 861387.0 142
  198.200 386139.0 64
  202.400 29703.0 5
  220.200 84158.5 14
  221.400 321782.5 53
  224.300 227723.0 37
  238.100 1529704.5 252
  239.200 1623764.0 267
  247.300 198020.0 33
  256.300 6074263.5 999
//