MassBank Record: KO003043

Home Search Record Index Data Privacy Imprint

Ganciclovir; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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$LINK: COMPTOX DTXSID8041032
CH$LINK: INCHIKEY IRSCQMHQWWYFCW-UHFFFAOYSA-N
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: 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.
  57.0 39604.0 68.0
  77.4 49505.0 85.0
  82.5 49505.0 85.0
  83.3 14851.5 25.0
  91.0 351486.0 601.0
  94.0 49505.0 85.0
  106.2 14851.5 25.0
  110.4 297030.0 508.0
  118.8 24752.5 42.0
  122.9 19802.0 34.0
  124.8 44554.5 76.0
  128.4 14851.5 25.0
  135.1 584159.0 999.0
  142.3 128713.0 220.0
  149.0 54455.5 93.0
  152.0 138614.0 237.0
  153.2 64356.5 110.0
  163.0 14851.5 25.0
//