ACCESSION: MSBNK-Keio_Univ-KO002709
RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:40 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 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$LINK: NIKKAJI J13.863K
CH$LINK: PUBCHEM SID:3624
CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N
CH$LINK: COMPTOX DTXSID30883626

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 268
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0k96-6900000000-6c126aa820bf09fb9e26
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
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  57.300 108911.0 21
  59.000 207921.0 40
  65.200 217822.0 42
  68.900 54455.5 10
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  81.700 14851.5 3
  92.100 5227728.0 999
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  94.200 272277.5 52
  95.100 44554.5 9
  108.200 4143568.5 792
  109.200 603961.0 115
  110.100 990100.0 189
  117.300 84158.5 16
  121.300 69307.0 13
  134.100 19802.0 4
  135.000 1460397.5 279
  136.000 108911.0 21
  136.700 44554.5 9
  148.700 24752.5 5
  152.300 3376241.0 645
  153.100 143564.5 27
  156.800 54455.5 10
  157.100 74257.5 14
  158.000 539604.5 103
  162.700 34653.5 7
//