ACCESSION: MSBNK-Keio_Univ-KO008966
RECORD_TITLE: Guanosine; LC-ESI-IT; MS2; m/z: 284; [M+H]+
DATE: 2011.05.10 (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 G015

CH$NAME: Guanosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃N₅O₅
CH$EXACT_MASS: 283.091669
CH$SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N
CH$IUPAC: InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
CH$LINK: CAS 118-00-3
CH$LINK: CHEBI 16750
CH$LINK: CHEMSPIDER 6544
CH$LINK: COMPTOX DTXSID00893055
CH$LINK: INCHIKEY NYHBQMYGNKIUIF-UUOKFMHZSA-N
CH$LINK: KAPPAVIEW KPC00589
CH$LINK: KEGG C00387
CH$LINK: KNAPSACK C00019679
CH$LINK: NIKKAJI J10.076E
CH$LINK: PUBCHEM CID:135398635

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 284
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0udi-0900000000-69de32f0be4f1ea16391
PK$ANNOTATION: m/z struct. num formula mass
  152.0 1 1 C5H6N5O 152.05723
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  56.5 248.06 1
  57.5 137.71 1
  58.4 156.37 1
  59.1 109.52 1
  59.9 409.70 1
  61.0 85.44 1
  63.0 88.76 1
  99.0 142.20 1
  109.1 321.24 1
  110.0 631.69 1
  111.1 123.37 1
  112.2 90.76 1
  119.0 167.68 1
  121.1 92.22 1
  125.0 94.05 1
  126.1 84.49 1
  128.0 99.54 1
  134.0 25.88 1
  135.0 3861.39 6
  136.0 810.52 1
  143.1 113.25 1
  149.0 85.39 1
  149.9 73.07 1
  152.0 673724.89 999
  153.0 2447.24 4
  154.0 789.59 1
  155.1 95.61 1
  157.2 401.21 1
  160.9 138.44 1
  164.0 158.20 1
  167.0 30.56 1
  170.2 286.75 1
  172.0 80.30 1
  178.1 21.78 1
  180.1 25.95 1
  186.0 125.08 1
  187.0 79.98 1
  197.0 137.43 1
  207.1 37.54 1
  209.1 23.83 1
  210.2 28.37 1
  221.1 18.68 1
  223.0 640.72 1
  239.3 219.99 1
  240.0 167.51 1
  242.1 169.69 1
  248.1 175.61 1
  249.2 401.60 1
  252.1 119.32 1
  265.2 65.56 1
  266.1 354.60 1
  267.1 810.37 1
  268.9 340.35 1
  283.3 1401.03 2
  284.1 32485.05 48
  285.2 2446.00 4
  286.4 146.78 1
  287.3 14.32 1
//