ACCESSION: MSBNK-Keio_Univ-KO008990
RECORD_TITLE: Ganciclovir; LC-ESI-IT; MS3; m/z: 256/152; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G088
COMMENT: [MS2] KO008989

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$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.55/0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 256/152
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0udr-0900000000-95e93ea549eeddbcf9cb
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  109.1 36.12 59
  110.1 72.72 118
  114.0 6.92 11
  128.1 9.61 16
  133.1 2.00 3
  134.1 4.54 7
  135.0 399.28 650
  136.0 98.43 160
  152.0 613.21 999
  153.0 521.39 849
  154.0 46.36 76
  170.1 6.62 11
  175.1 2.38 4
  179.1 2.00 3
  187.1 69.83 114
  188.2 2.54 4
  197.1 6.69 11
  225.1 1.77 3
  239.2 2.76 4
  265.1 29.06 47
//