ACCESSION: MSBNK-Keio_Univ-KO003040
RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0udi-0920000000-16d50b83e7be32f4db70
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
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  116.900 34653.5 8
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  126.100 39604.0 9
  131.200 9901.0 2
  132.700 19802.0 4
  142.100 519802.5 113
  148.100 836634.5 182
  151.100 19802.0 4
  152.000 4603965.0 999
  152.900 14851.5 3
  163.100 198020.0 43
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  167.100 148515.0 32
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  170.100 103960.5 23
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  198.500 301980.5 66
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  221.200 495050.0 107
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  256.400 386139.0 84
  337.700 49505.0 11
//