ACCESSION: MSBNK-Keio_Univ-KO008942
RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-IT; MS2; m/z: 268; [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 D057

CH$NAME: 2'-Deoxyguanosine
CH$NAME: Deoxyguanosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₃N₅O₄
CH$EXACT_MASS: 267.09675
CH$SMILES: OC[C@@H](O1)[C@@H](O)C[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC(N)2
CH$IUPAC: InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
CH$LINK: CAS 961-07-9
CH$LINK: CHEBI 17172
CH$LINK: KEGG C00330
CH$LINK: PUBCHEM 3624
CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N
CH$LINK: COMPTOX DTXSID30883626

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 0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 268
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0udi-0900000000-95865718dd3ee7996767
PK$ANNOTATION: m/z struct. num formula mass
  152.0 1 1 C5H6N5O 152.05723
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  81.2 22.94 1
  93.0 4.75 1
  97.0 10.22 1
  99.0 53.57 1
  103.1 3.13 1
  105.1 30.75 1
  107.0 14.78 1
  110.0 7.41 1
  112.1 8.47 1
  115.0 5.34 1
  119.0 3.03 1
  132.1 7.41 1
  135.0 54.63 1
  136.1 1640.52 27
  137.1 4.59 1
  138.1 9.03 1
  150.0 10.78 1
  151.1 13.06 1
  152.0 59898.07 999
  153.0 48.44 1
  153.9 24.19 1
  155.0 62.91 1
  155.8 24.56 1
  157.1 15.75 1
  170.1 19.69 1
  175.0 84.57 1
  179.7 13.91 1
  180.9 232.26 4
  182.1 13.28 1
  183.2 3.06 1
  185.0 32.00 1
  185.9 74.78 1
  187.0 25.00 1
  192.0 3.56 1
  195.3 19.35 1
  200.0 12.63 1
  205.1 7.72 1
  206.2 9.25 1
  208.2 8.63 1
  209.1 64.31 1
  209.9 19.47 1
  211.1 18.19 1
  212.1 53.56 1
  218.1 8.66 1
  220.2 4.66 1
  223.7 3.28 1
  230.6 2.75 1
  232.0 39.10 1
  233.1 20.09 1
  236.2 46.63 1
  238.3 16.94 1
  240.3 15.84 1
  241.8 6.41 1
  250.0 490.08 8
  251.1 265.51 4
  253.0 85.07 1
  259.1 31.91 1
  266.0 21.91 1
  268.1 512.81 9
  270.4 9.72 1
  286.9 11.91 1
  295.9 9.28 1
//